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(2E)-hexadecenedioyl-CoA

Go to external page http://purl.obolibrary.org/obo/CHEBI_77183

An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of (2E)-hexadecenedioic acid.

Term info

Label

(2E)-hexadecenedioyl-CoA

Synonyms
  • 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-15-carboxypentadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Subsets

3_STAR

IUPAC NAME
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-15-carboxypentadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} [ IUPAC ]

charge

0

formula

C37H62N7O19P3S

has obo namespace

chebi_ontology

has related synonym

trans-2-hexadecenedioyl-CoA, (2E)-hexadecenedioyl-coenzyme A, trans-2-hexadecenedioyl-coenzyme A

id

CHEBI:77183

inchi

InChI=1S/C37H62N7O19P3S/c1-37(2,32(50)35(51)40-18-17-26(45)39-19-20-67-28(48)16-14-12-10-8-6-4-3-5-7-9-11-13-15-27(46)47)22-60-66(57,58)63-65(55,56)59-21-25-31(62-64(52,53)54)30(49)36(61-25)44-24-43-29-33(38)41-23-42-34(29)44/h14,16,23-25,30-32,36,49-50H,3-13,15,17-22H2,1-2H3,(H,39,45)(H,40,51)(H,46,47)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/b16-14+/t25-,30-,31-,32+,36-/m1/s1

inchikey

SJBSPCRLRGPAHQ-OHCWBFRRSA-N

mass

1033.91000

monoisotopicmass

1033.30340

smiles

CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CCCCCCCCCCCCC(O)=O