CHEBI:139105 - (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA

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ChEBI Name (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA
ChEBI ID CHEBI:139105
ChEBI ASCII Name (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA
Definition An oxo fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:80452
Supplier Information
Download Molfile XML SDF
Formula C37H60N7O18P3S
Net Charge 0
Average Mass 1015.897
Monoisotopic Mass 1015.29284
InChI InChI=1S/C37H60N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,21-24,26,30-32,36,48-49H,4,6,8-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b7-5-/t23-,24-,26+,30+,31+,32-,36+/m0/s1
InChIKey VWFUYQVGVAEVNH-WZGLBKMISA-N
SMILES S(C(=O)CCCCC[C@@H]1[C@@H](C(CC1)=O)C/C=C\CC)CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA (CHEBI:139105) is a oxo-fatty acyl-CoA (CHEBI:61903)
(9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA (CHEBI:139105) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA (CHEBI:139105) is conjugate acid of (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA(4−) (CHEBI:138431)
Incoming (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA(4−) (CHEBI:138431) is conjugate base of (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA (CHEBI:139105)
Synonyms Sources
(9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-coenzyme A ChEBI
6-{(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}hexanoyl-CoA ChEBI
6-{(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}hexanoyl-coenzyme A ChEBI
OPC-6-CoA ChEBI
OPC-6-coenzyme A ChEBI
Manual Xrefs Databases
C16331 KEGG COMPOUND
HMDB0011114 HMDB
View more database links
Last Modified
20 November 2017