CHEBI:27858 - precorrin-6Y

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ChEBI Name precorrin-6Y
ChEBI ID CHEBI:27858
Definition The intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which six methyl groups have been introduced into the tetrapyrrole framework, together with ring contraction and reduction.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8376, CHEBI:14876, CHEBI:26226
Supplier Information eMolecules:483599, ZINC000000967534
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Formula C44H56N4O16
Net Charge 0
Average Mass 896.93280
Monoisotopic Mass 896.36913
InChI InChI=1S/C44H56N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h16-17,23,25,39,47-48H,6-15,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b26-16-,27-17-/t23-,25+,39-,40-,41+,42+,43+,44+/m1/s1
InChIKey NWRSYSRVTYBWJV-WFECKALKSA-N
SMILES [H][C@]12N=C(\C=C3N[C@@](C)(CC4=C(CCC(O)=O)[C@](C)(CC(O)=O)C(/C=C5\N[C@]1(C)[C@@](C)(CC(O)=O)[C@@H]5CCC(O)=O)=N4)C(CC(O)=O)=C/3CCC(O)=O)[C@](C)(CCC(O)=O)[C@H]2CC(O)=O
Roles Classification
Biological Role(s): 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).
(via corrinoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing precorrin-6Y (CHEBI:27858) is a precorrin (CHEBI:26228)
precorrin-6Y (CHEBI:27858) is conjugate acid of precorrin-6Y(6−) (CHEBI:58532)
Incoming precorrin-6Y(6−) (CHEBI:58532) is conjugate base of precorrin-6Y (CHEBI:27858)
IUPAC Name
3,3',3'',3'''-[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethylcorrin-3,8,13,17-tetrayl]tetrapropanoic acid
Synonyms Sources
3-[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-octamethylcorrin-3,8,13,17-tetrayl]tetrapropanoic acid ChemIDplus
Precorrin 6B KEGG COMPOUND
Precorrin 6Y KEGG COMPOUND
Manual Xref Database
C06319 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
139663-55-1 CAS Registry Number ChemIDplus
4901795 Beilstein Registry Number Beilstein
Last Modified
04 August 2014