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(11Z)-hexadecenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM146245

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	1

formula

C₃₇H₆₀N₇O₁₇P₃S

charge

-4

mass

999.30012

reference

chebi:86120

InChIKey

LFNOUYUFXGXNNP-UBPKJMQESA-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/h7-8,24-26,30-32,36,47-48H,4-6,9-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b8-7-/t26-,30-,31-,32+,36-/m1/s1

SMILES

CCCC/C=C\CCCCCCCCCC(=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:86120 chebi:86120	(11Z)-hexadecenoyl-CoA (11Z)-hexadec-11-enoyl-CoA(4-) (11Z)-hexadec-11-enoyl-coenzyme A(4-) (11Z)-hexadecenoyl-CoA(4-) (11Z)-hexadecenoyl-coenzyme A(4-)
kegg.compound:C20998 keggC:C20998	(11Z)-Hexadec-11-enoyl-CoA
CHEBI:86375 chebi:86375	(11Z)-hexadec-11-enoyl-CoA (11Z)-hexadec-11-enoyl-coenzyme A (11Z)-hexadecenoyl-CoA (11Z)-hexadecenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(11Z)-hexadec-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
metacyc.compound:CPD-16001 metacycM:CPD-16001 seed.compound:cpd33156 seedM:cpd33156	(11Z)-hexadecenoyl-CoA (Z)-hexadec-11-enyl-CoA
keggC:M_C20998 seedM:M_cpd33156	secondary/obsolete/fantasy identifier