CHEBI:57379 - palmitoyl-CoA(4−)

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ChEBI Name palmitoyl-CoA(4−)
ChEBI ID CHEBI:57379
ChEBI ASCII Name palmitoyl-CoA(4-)
Definition A saturated fatty acyl-CoA(4−) that is palmitoyl-CoA in which the phosphate and diphosphate groups have been deprotonated to give the corresponding tetra-anion.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C37H62N7O17P3S
Net Charge -4
Average Mass 1001.914
Monoisotopic Mass 1001.314
InChI InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/t26-,30-,31-,32+,36-/m1/s1
InChIKey MNBKLUUYKPBKDU-BBECNAHFSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCCCCCCCCCCCCCC)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing palmitoyl-CoA(4−) (CHEBI:57379) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
palmitoyl-CoA(4−) (CHEBI:57379) has role human metabolite (CHEBI:77746)
palmitoyl-CoA(4−) (CHEBI:57379) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
palmitoyl-CoA(4−) (CHEBI:57379) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
palmitoyl-CoA(4−) (CHEBI:57379) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
palmitoyl-CoA(4−) (CHEBI:57379) is conjugate base of palmitoyl-CoA (CHEBI:15525)
Incoming palmitoyl-CoA (CHEBI:15525) is conjugate acid of palmitoyl-CoA(4−) (CHEBI:57379)
IUPAC Name
3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(hexadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)
Synonym Source
hexadecanoyl-CoA UniProt
Last Modified
20 December 2016