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CHEBI:28629 - precorrin-8X

ChEBI IDCHEBI:28629
ChEBI Nameprecorrin-8X
Stars
DefinitionThe intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which eight methyl groups have been introduced into the tetrapyrrole framework, together with ring contraction and decarboxylation.
Secondary ChEBI IDsCHEBI:8377, CHEBI:14877, CHEBI:26227
Last Modified3 August 2014
DownloadsMolfile
FormulaC45H60N4O14
Net Charge0
Average Mass880.989
Monoisotopic Mass880.41060
SMILES[H][C@]12N=C(C(C)C3=N[C@@](C)(CC4=N/C(=C(/C)C5=N[C@]1(C)[C@@](C)(CC(=O)O)[C@@H]5CCC(=O)O)[C@@](C)(CC(=O)O)[C@@H]4CCC(=O)O)C(C)=C3CCC(=O)O)[C@](C)(CCC(=O)O)[C@H]2CC(=O)O
InChIInChI=1S/C45H60N4O14/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57/h21,25-27,40H,9-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b39-22-/t21?,25-,26-,27+,40-,41-,42+,43+,44+,45+/m1/s1
InChIKeyIGCZFSMEIXUSJY-FKUSVXTQSA-N
Roles Classification
Biological Role:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
precorrin-8X (CHEBI:28629) is a precorrin (CHEBI:26228)
precorrin-8X (CHEBI:28629) is conjugate acid of precorrin-8X(7−) (CHEBI:58581)
Incoming Relation(s)
cobalt-precorrin-8 (CHEBI:3795) has functional parent precorrin-8X (CHEBI:28629)
precorrin-8X(7−) (CHEBI:58581) is conjugate base of precorrin-8X (CHEBI:28629)
IUPAC Name 
3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,17R,18R,19R)-2,7,18-tris(carboxymethyl)-1,2,5,7,11,12,15,17-octamethylcorrin-3,8,13,17-tetrayl]tetrapropanoic acid
Synonyms  Source
Precorrin 8XKEGG COMPOUND
Precorrin 8KEGG COMPOUND
(1R-(1α,2α,3β,9β,13α,17β,18α,19β))-2,13,18-tris(carboxymethyl)-4,5,6,7,8,11,12,22-octadehydro-4,5,6,9,10,11,21,22-octahydro-3,5,8,9,13,15,18,19-octamethyl-3,7,12,17-Corrintetrapropanoic acidChemIDplus
Manual XrefsDatabases
C06408KEGG COMPOUND
Registry NumbersSources
CAS:139663-56-2ChemIDplus