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(3Z)-octenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107667

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

formula

C₂₉H₄₄N₇O₁₇P₃S

charge

-4

mass

887.17492

reference

chebi:85640

InChIKey

CSCVMTFVEARIET-IJKSGAABSA-J

InChI

InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h7-8,16-18,22-24,28,39-40H,4-6,9-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/b8-7-/t18-,22-,23-,24+,28-/m1/s1

SMILES

CCCC/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:85640 chebi:85640	(3Z)-octenoyl-CoA (3Z)-octenoyl-CoA(4-) (3Z)-octenoyl-coenzyme A(4-) (Z)-oct-3-enoyl-CoA(4-) (Z)-oct-3-enoyl-coenzyme A(4-) cis-3-octenoyl-CoA(4-) cis-3-octenoyl-coenzyme A(4-) cis-oct-3-enoyl-CoA(4-) cis-oct-3-enoyl-coenzyme A(4-)
metacyc.compound:CPD-14729 metacycM:CPD-14729 seed.compound:cpd33512 seedM:cpd33512	(3Z)-oct-3-enoyl-CoA 3-cis-octenoyl coenzyme A 3-cis-octenoyl-CoA
sabiork.compound:23786 sabiorkM:23786	cis-3-Octenoyl-CoA S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda5,5lambda5- diphosphaheptadecan-17-yl} (3Z)-3-octenethioate
CHEBI:85939 chebi:85939	cis-3-octenoyl-CoA (3Z)-octenoyl-CoA (3Z)-octenoyl-coenzyme A (Z)-oct-3-enoyl-CoA (Z)-oct-3-enoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(3Z)-oct-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} cis-3-octenoyl-coenzyme A cis-oct-3-enoyl-CoA cis-oct-3-enoyl-coenzyme A
seedM:M_cpd33512	secondary/obsolete/fantasy identifier