CHEBI:27630 - precorrin-5

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name precorrin-5
ChEBI ID CHEBI:27630
Definition The intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which five methyl groups have been introduced into the tetrapyrrole framework, together with ring contraction.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:26224, CHEBI:8374, CHEBI:14874
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C45H54N4O17
Net Charge 0
Average Mass 922.92690
Monoisotopic Mass 922.34840
InChI InChI=1S/C45H54N4O17/c1-21(50)45-40-26(15-37(61)62)41(2,13-12-35(57)58)30(47-40)16-27-22(6-9-32(51)52)25(14-36(59)60)44(5,48-27)18-29-23(7-10-33(53)54)42(3,19-38(63)64)31(46-29)17-28(49-45)24(8-11-34(55)56)43(45,4)20-39(65)66/h17,24,49H,6-16,18-20H2,1-5H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/b28-17-/t24-,41-,42+,43+,44+,45?/m1/s1
InChIKey OUPXZNRNMLYOGK-FNFWWFRLSA-N
SMILES CC(=O)C12N\C(=C/C3=NC(C[C@]4(C)N=C(CC5=NC1=C(CC(O)=O)[C@@]5(C)CCC(O)=O)C(CCC(O)=O)=C4CC(O)=O)=C(CCC(O)=O)[C@]3(C)CC(O)=O)[C@@H](CCC(O)=O)[C@]2(C)CC(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-5 (CHEBI:27630) is a precorrin (CHEBI:26228)
precorrin-5 (CHEBI:27630) is conjugate acid of precorrin-5(7−) (CHEBI:77871)
precorrin-5 (CHEBI:27630) is conjugate acid of precorrin-5(8−) (CHEBI:58518)
Incoming cobalt-precorrin-5 (CHEBI:3793) has functional parent precorrin-5 (CHEBI:27630)
precorrin-5(7−) (CHEBI:77871) is conjugate base of precorrin-5 (CHEBI:27630)
precorrin-5(8−) (CHEBI:58518) is conjugate base of precorrin-5 (CHEBI:27630)
IUPAC Name
3,3',3'',3'''-[(2S,3S,7S,11S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,11,17-tetramethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid
Synonym Source
Precorrin 5 KEGG COMPOUND
Manual Xref Database
C06416 KEGG COMPOUND
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Last Modified
08 May 2014