CHEBI:71430 - 3-oxoisopentadecanoyl-CoA(4−)

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ChEBI Name 3-oxoisopentadecanoyl-CoA(4−)
ChEBI ID CHEBI:71430
ChEBI ASCII Name 3-oxoisopentadecanoyl-CoA(4-)
Definition A 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 3-oxoisopentadecanoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
Download Molfile XML SDF
Formula C36H58N7O18P3S
Net Charge -4
Average Mass 1001.86800
Monoisotopic Mass 1001.27938
InChI InChI=1S/C36H62N7O18P3S/c1-23(2)12-10-8-6-5-7-9-11-13-24(44)18-27(46)65-17-16-38-26(45)14-15-39-34(49)31(48)36(3,4)20-58-64(55,56)61-63(53,54)57-19-25-30(60-62(50,51)52)29(47)35(59-25)43-22-42-28-32(37)40-21-41-33(28)43/h21-23,25,29-31,35,47-48H,5-20H2,1-4H3,(H,38,45)(H,39,49)(H,53,54)(H,55,56)(H2,37,40,41)(H2,50,51,52)/p-4/t25-,29-,30-,31+,35-/m1/s1
InChIKey MAMJAMHAMPVLFR-VTINEICCSA-J
SMILES CC(C)CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing 3-oxoisopentadecanoyl-CoA(4−) (CHEBI:71430) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
3-oxoisopentadecanoyl-CoA(4−) (CHEBI:71430) is a long-chain 3-oxo-fatty acyl-CoA(4−) (CHEBI:136758)
3-oxoisopentadecanoyl-CoA(4−) (CHEBI:71430) is conjugate base of 3-oxoisopentadecanoyl-CoA (CHEBI:71439)
Incoming 3-oxoisopentadecanoyl-CoA (CHEBI:71439) is conjugate acid of 3-oxoisopentadecanoyl-CoA(4−) (CHEBI:71430)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(13-methyl-3-oxotetradecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
13-methyl-3-oxomyristoyl-CoA(4−) ChEBI
13-methyl-3-oxomyristoyl-coenzyme A(4−) ChEBI
13-methyl-3-oxotetradecanoyl-CoA(4−) ChEBI
13-methyl-3-oxotetradecanoyl-coenzyme A(4−) ChEBI
3-oxoisopentadecanoyl-CoA UniProt
3-oxoisopentadecanoyl-coenzyme A(4−) ChEBI
Last Modified
04 July 2017