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CHEBI:137699 - 15,173-seco-F430-173-acid

ChEBI IDCHEBI:137699
ChEBI Name15,173-seco-F430-173-acid
Stars
ASCII Name15,17(3)-seco-F430-17(3)-acid
DefinitionA metalloporphyrin having nickel as the central metal atom; an intermediate in the biosynthesis of coenzyme F430 in methanogenic bacteria.
Last Modified7 July 2017
SubmitterSteve
DownloadsMolfile
FormulaC42H53N6NiO14
Net Charge+1
Average Mass924.607
Monoisotopic Mass923.29677
SMILESC[C@@]12CC(=O)N[C@@]13C[C@H]1[C@@H](CCC(=O)O)[C@](C)(CC(N)=O)C4=[N+]1[Ni-2]15[N]6C(=CC7=[N+]1[C@H](C4)[C@@H](CC(=O)O)[C@@H]7CCC(=O)O)[C@@H](CCC(=O)O)[C@H](CC(=O)O)C6=CC(=[N+]35)[C@H]2CCC(=O)O
InChIInChI=1S/C42H54N6O14.Ni/c1-40(17-32(43)49)23(5-9-36(55)56)30-16-42-41(2,18-33(50)48-42)24(6-10-37(57)58)29(47-42)14-27-21(11-38(59)60)19(3-7-34(51)52)25(44-27)13-26-20(4-8-35(53)54)22(12-39(61)62)28(45-26)15-31(40)46-30;/h13-14,19-24,28,30H,3-12,15-18H2,1-2H3,(H10,43,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-1/t19-,20-,21-,22-,23+,24+,28+,30-,40-,41-,42-;/m0./s1
InChIKeyHHAOAZMDQIXGKF-MYQROCLPSA-M
Species of MetaboliteComponentSourceComments
Methanobacterium thermoautotrophicum (ncbitaxon:145262) - PubMed (3691535)
Methanospirillum hungatei (ncbitaxon:2203) - PubMed (3691535)
Methanosarcina acetivorans (ncbitaxon:188937) - PubMed (27846569) Strain: C2A
Methanobrevibacter arboriphilus (ncbitaxon:39441) - PubMed (3691535)
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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)
15,173-seco-F430-173-acid (CHEBI:137699) has functional parent sirohydrochlorin (CHEBI:18023)
15,173-seco-F430-173-acid (CHEBI:137699) has role bacterial metabolite (CHEBI:76969)
15,173-seco-F430-173-acid (CHEBI:137699) is a metalloporphyrin (CHEBI:25216)
15,173-seco-F430-173-acid (CHEBI:137699) is a nickel coordination entity (CHEBI:35438)
15,173-seco-F430-173-acid (CHEBI:137699) is conjugate acid of 15,173-seco-F430-173-acid(5−) (CHEBI:136888)
Incoming Relation(s)
15,173-seco-F430-173-acid(5−) (CHEBI:136888) is conjugate base of 15,173-seco-F430-173-acid (CHEBI:137699)
Manual XrefsDatabases
CPD-7592MetaCyc
Citations