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(3E)-tetradecenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107924

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₃₅H₅₆N₇O₁₇P₃S

charge

-4

mass

971.26882

reference

chebi:87710

InChIKey

SSOCUKXLUZQJHU-CTFJFIKLSA-J

InChI

InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h13-14,22-24,28-30,34,45-46H,4-12,15-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b14-13+/t24-,28-,29-,30+,34-/m1/s1

SMILES

CCCCCCCCCC/C=C/CC(=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:87710 chebi:87710	(3E)-tetradecenoyl-CoA (3E)-tetradecenoyl-CoA(4-) (3E)-tetradecenoyl-coenzyme A(4-) trans-3-tetradecenoyl-CoA(4-) trans-3-tetradecenoyl-coenzyme A(4-)
metacyc.compound:CPD-15567 metacycM:CPD-15567 seed.compound:cpd34463 seedM:cpd34463	(3E)-tetradec-3-enoyl-CoA 3-trans-tetradecenoyl-CoA
CHEBI:88083 chebi:88083	(3E)-tetradecenoyl-CoA (3E)-tetradecenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3E)-tetradec-3-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} trans-3-tetradecenoyl-CoA trans-3-tetradecenoyl-coenzyme A
sabiork.compound:23778 sabiorkM:23778	trans-3-Tetradecenoyl-CoA (3E)-Tetradecenoyl-CoA
seedM:M_cpd34463	secondary/obsolete/fantasy identifier