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(2E)-hexadecenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104633

	#reac
in my sandbox	0
in MNXref (generic)	30
in models (compartimentalized)	36

formula

C₃₇H₆₀N₇O₁₇P₃S

charge

-4

mass

999.30012

reference

chebi:61526

InChIKey

JUPAQFRKPHPXLD-MSHHSVQMSA-J

InChI

InChI=1S/C37H64N7O17P3S/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/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b17-16+/t26-,30-,31-,32+,36-/m1/s1

SMILES

CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61526 chebi:61526	(2E)-hexadecenoyl-CoA (E)-C16:1 n-14-CoA (E)-hexadec-2-enoyl-CoA tetraanion (E)-hexadec-2-enoyl-CoA(4-) (E)-hexadec-2-enoyl-coenzyme A tetraanion (E)-hexadec-2-enoyl-coenzyme A(4-) trans-2-hexadecenoyl-CoA(4-) trans-2-hexadecenoyl-coenzyme A tetraanion trans-2-hexadecenoyl-coenzyme A(4-) trans-C16:1 n-14-CoA trans-hexadec-2-enoyl-CoA(4-)
seed.compound:cpd03126 seedM:cpd03126	(2E)-Hexadecenoyl-CoA (2E)-hexadecenoyl-CoA hdd2coa trans-2-Hexadecenoyl-CoA trans-2-hexadecenoyl-CoA trans-Hexadec-2-enoyl-CoA trans-hexadec-2-enoyl-CoA
SLM:000000444 slm:000000444	(2E)-hexadecenoyl-CoA
metacyc.compound:CPD0-2117 metacycM:CPD0-2117	(2E)-hexadecenoyl-CoA trans-2-hexadecenoyl-CoA trans-hexadec-2-enoyl-CoA
reactome:R-ALL-77284 reactomeM:R-ALL-77284 CHEBI:28935 chebi:28935	(E)-hexadec-2-enoyl-CoA (2E)-Hexadecenoyl-CoA (2E)-hexadecenoyl-coenzyme A (E)-2-hexadecenoyl-CoA (E)-2-hexadecenoyl-coenzyme A (E)-hexadec-2-enoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hexadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} trans-2-Hexadecenoyl-CoA trans-2-hexadecenoyl-coenzyme A trans-Hexadec-2-enoyl-CoA
lipidmaps:LMFA07050144 lipidmapsM:LMFA07050144	(E)-hexadec-2-enoyl-CoA (2E)-hexadecenoyl-coenzyme A (E)-2-hexadecenoyl-CoA (E)-2-hexadecenoyl-coenzyme A (E)-hexadec-2-enoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hexadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 16:1 trans-2-hexadecenoyl-coenzyme A
bigg.metabolite:hdd2coa biggM:hdd2coa	Trans-Hexadec-2-enoyl-CoA
sabiork.compound:2749 sabiorkM:2749 kegg.compound:C05272 keggC:C05272	trans-Hexadec-2-enoyl-CoA (2E)-Hexadecenoyl-CoA trans-2-Hexadecenoyl-CoA
chebi:10728 chebi:27047 biggM:M_hdd2coa keggC:M_C05272 seedM:M_cpd03126	secondary/obsolete/fantasy identifier