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3-oxo-(5Z-tetradecenoyl)-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM147795

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

formula

C₃₅H₅₄N₇O₁₈P₃S

charge

-4

mass

985.24808

reference

chebi:87707

InChIKey

KADPWMJVUVWQNK-STFCKWFXSA-J

InChI

InChI=1S/C35H58N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h11-12,21-22,24,28-30,34,46-47H,4-10,13-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b12-11-/t24-,28-,29-,30+,34-/m1/s1

SMILES

CCCCCCCC/C=C\CC(=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](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:87707 chebi:87707	3-oxo-(5Z-tetradecenoyl)-CoA (5Z)-3-ketotetradecenoyl-CoA(4-) (5Z)-3-ketotetradecenoyl-coenzyme A(4-) (5Z)-3-oxotetradecenoyl-CoA(4-) (5Z)-3-oxotetradecenoyl-coenzyme A(4-)
CHEBI:88080 chebi:88080	(5Z)-3-oxotetradecenoyl-CoA (5Z)-3-ketotetradecenoyl-CoA (5Z)-3-ketotetradecenoyl-coenzyme A (5Z)-3-oxotetradecenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(5Z)-3-oxotetradec-5-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
seed.compound:cpd35881 seedM:cpd35881	3-keto-5-cis-tetradecenoyl-CoA 3-oxo-(5Z)-tetradecenoyl-CoA 3-oxo-14:1-delta5-CoA 3-oxo-5-cis-tetradecenoyl-CoA
metacyc.compound:CPD-15244 metacycM:CPD-15244	3-oxo-(5Z)-tetradecenoyl-CoA 3-keto-5-cis-tetradecenoyl-CoA 3-oxo-14:1-Delta5-CoA 3-oxo-5-cis-tetradecenoyl-CoA
seedM:M_cpd35881	secondary/obsolete/fantasy identifier