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Bovine Metabolome Database



Showing metabocard for Adenosyl cobyrinic acid a,c diamide (BMDB01083)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-05-05 20:58:29
Accession Number BMDB01083
Common Name Adenosyl cobyrinic acid a,c diamide
Description Adenosyl cobyrinic acid a,c diamide is an intermediate in the metabolism of Porphyrin and chlorophyll. It is a substrate for Cob(I)yrinic acid a,c-diamide adenosyltransferase (mitochondrial).
Synonyms
  1. Adenosyl cobyrinate diamide
  2. Adenosyl cobyrinate a,c diamide
  3. Adenosylcobyrinic acid a,c-diamide
  4. Adenosylcob(III)yrinic acid a,c-diamide
Chemical IUPAC Name Not Available
Chemical Formula C55H73CoN11O15
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Heterocyclic molecules
Class
  • Cobalamin Derivatives
Sub Class
  • Cobalamins
Family
  • Mammalian_Metabolite
Species
  • cation; imine; enamine; secondary alcohol; 1,2-diol; primary amine; primary aromatic amine; organometallic compound; carboxylic acid; primary carboxylic acid amide; alkene; aromatic compound; heterocyclic compound
Biofunction
  • Component of Porphyrin and chlorophyll metabolism
Application
Source
  • Endogenous
Average Molecular Weight 1187.166
Monoisotopic Molecular Weight 1186.461914
Isomeric SMILES CC1=C2N3C([C@H](CC(O)=O)[C@@]2(C)CCC(O)=O)[C@]2(C)[N]4=C([C@@H](CCC(O)=O)[C@]2(C)CC(N)=O)C(C)=C2[N]5=C(C=C6[N](=C1[C@@H](CCC(O)=O)C6(C)C)[Co+]345C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C(N)N=CN=C13)[C@@H](CCC(O)=O)[C@]2(C)CC(N)=O
Canonical SMILES CC1=C2N3C(C(CC(O)=O)C2(C)CCC(O)=O)C2(C)[N]4=C(C(CCC(O)=O)C2(C)CC(N)=O)C(C)=C2[N]5=C(C=C6[N](=C1C(CCC(O)=O)C6(C)C)[Co+]345CC1OC(C(O)C1O)N1C=NC3=C(N)N=CN=C13)C(CCC(O)=O)C2(C)CC(N)=O
KEGG Compound ID C06506 Link Image
BioCyc ID CPD-690 Link Image
BiGG ID Not Available
Wikipedia Link Not Available
METLIN ID 5991 Link Image
PubChem Compound Not Available
PubChem Substance 8737 Link Image
ChEBI ID Not Available
CAS Registry Number Not Available
InChI Identifier InChI=1/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,24-,25-,26+,40?,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1
Synthesis Reference Not Available
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 0.0163 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge -4
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity 0.94 [Predicted by ALOGPS] Calculated using ALOGPS
Material Safety Data Sheet (MSDS) Not Available
MOL File Show
SDF File Show
PDB File Show
2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
Predicted 1H NMR Spectrum Show Image
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Predicted 13C NMR Spectrum Show Image
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Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location Not Available
Biofluid Location Not Available
Tissue Location Not Available
Concentrations (Normal) Not Available
Concentrations (Abnormal) Not Available
Pathway Names
  • Porphyrin Metabolism
HMDB Pathways
Name Porphyrin Metabolism
Image Show Link Image
KEGG Pathways
Name Porphyrin Metabolism
Image Show Link Image
SimCell Pathways
Name Porphyrin Metabolism
Image Show Link Image
Graph
SBML
General References Not Available
Metabolic Enzymes
  1. Cob(I)yrinic acid a,c-diamide adenosyltransferase, mitochondrial
Enzyme 1 [top]
Enzyme 1 ID 537
Enzyme 1 Name Cob(I)yrinic acid a,c-diamide adenosyltransferase, mitochondrial
Enzyme 1 Synonyms
  1. Cob(I)alamin adenosyltransferase
  2. Methylmalonic aciduria type B homolog
Enzyme 1 Gene Name MMAB
Enzyme 1 Protein Sequence >Cob(I)yrinic acid a,c-diamide adenosyltransferase, mitochondrial
MAVWGPGGRLGLRGCLGARKLLCPRFQSRGPQGVEDGDRPQPSSKTPKVPKIYTKTGDKG
FSSTFTGERRSKDDQVFEAVGTTDELSSAIGFAMELIAEKGHPFVEELQKIQCSLQDVGS
ALATPRSSAREAHLKHATFEAGPILELEQWIDKYSRQLPPLTAFILPSGGKSSSALHFCR
AVCRRAERRVVPLVQTGETDANVVKFLNRLSDYLFTLARYTAMKEGNPEKIYKKNDLSDR
T
Enzyme 1 Number of Residues 241
Enzyme 1 Molecular Weight 26587.1
Enzyme 1 Theoretical pI 9.64
Enzyme 1 GO Classification
Function
Process
Component
Enzyme 1 General Function Involved in ATP binding
Enzyme 1 Specific Function ATP + cob(I)yrinic acid a,c-diamide = triphosphate + adenosylcob(III)yrinic acid a,c-diamide
Enzyme 1 Pathways
  • Cofactor biosynthesis
  • adenosylcobalamin biosynthesis
  • adenosylcobalamin from cob(II)yrinate a,c-diamide:step 2/7
Enzyme 1 Reactions Not Available
Enzyme 1 Pfam Domain Function
Enzyme 1 Signals
  • None
Enzyme 1 Transmembrane Regions
  • None
Enzyme 1 Essentiality Not Available
Enzyme 1 GenBank ID Protein 61554665 Link Image
Enzyme 1 UniProtKB/Swiss-Prot ID Q58D49 Link Image
Enzyme 1 UniProtKB/Swiss-Prot Entry Name MMAB_BOVIN Link Image
Enzyme 1 PDB ID Not Available
Enzyme 1 Cellular Location Not Available
Enzyme 1 Gene Sequence >726 bp
ATGGCTGTGTGGGGCCCGGGAGGTCGCCTTGGCTTGCGCGGGTGCCTTGGAGCCCGCAAG
CTATTGTGTCCCCGTTTCCAGAGCCGCGGCCCCCAGGGCGTGGAAGACGGGGACAGGCCA
CAGCCTTCCTCGAAGACTCCCAAGGTCCCCAAGATCTACACCAAAACAGGAGACAAAGGG
TTTTCTAGCACCTTCACTGGAGAAAGAAGATCCAAAGACGACCAGGTGTTTGAAGCCGTG
GGAACTACAGATGAATTAAGTTCAGCCATCGGGTTTGCTATGGAATTAATTGCAGAAAAG
GGCCACCCGTTTGTGGAAGAGCTTCAGAAAATCCAGTGCTCCCTGCAGGACGTTGGCTCT
GCCCTGGCGACTCCGCGCTCCTCAGCCAGGGAGGCTCACTTAAAACACGCCACGTTCGAG
GCGGGGCCCATCCTGGAGCTGGAGCAGTGGATCGACAAATACTCTCGCCAGCTGCCCCCG
CTCACCGCTTTCATCCTGCCTTCAGGAGGCAAGAGCAGCTCCGCACTGCACTTCTGTCGG
GCCGTGTGTCGCCGAGCCGAGAGACGCGTGGTGCCTCTTGTCCAGACGGGTGAAACCGAT
GCAAACGTGGTCAAGTTCTTAAACAGACTCAGCGACTATCTCTTCACATTAGCCAGATAC
ACAGCCATGAAGGAAGGGAATCCAGAAAAGATATACAAGAAAAATGACCTATCGGACCGC
ACCTGA
Enzyme 1 GenBank Gene ID BT021748 Link Image
Enzyme 1 GeneCard ID MMAB Link Image
Enzyme 1 GenAtlas ID Not Available
Enzyme 1 HGNC ID Not Available
Enzyme 1 Chromosome Location Chromosome:1
Enzyme 1 Locus 12q24
Enzyme 1 SNPs SNPJam Report Link Image
Enzyme 1 General References
  1. [PubMed Link Image]
Enzyme 1 Metabolite References Not Available