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CHEBI:27630 - precorrin-5

ChEBI IDCHEBI:27630
ChEBI Nameprecorrin-5
Stars
DefinitionThe 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.
Secondary ChEBI IDsCHEBI:8374, CHEBI:14874, CHEBI:26224
Last Modified8 May 2014
DownloadsMolfile
FormulaC45H54N4O17
Net Charge0
Average Mass922.938
Monoisotopic Mass922.34840
SMILESCC(=O)C12N/C(=C\C3=NC(=C(CCC(=O)O)[C@]3(C)CC(=O)O)C[C@]3(C)N=C(CC4=NC1=C(CC(=O)O)[C@@]4(C)CCC(=O)O)C(CCC(=O)O)=C3CC(=O)O)[C@@H](CCC(=O)O)[C@]2(C)CC(=O)O
InChIInChI=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
InChIKeyOUPXZNRNMLYOGK-FNFWWFRLSA-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-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 Relation(s)
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 5KEGG COMPOUND
Manual XrefsDatabases
C06416KEGG COMPOUND