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3-oxo-(7Z-hexadecenoyl)-CoA

MNXM150996 is deprecated and here replaced by MNXM1101995
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1101995

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	4

formula

C₃₇H₅₈N₇O₁₈P₃S

charge

-4

mass

1013.27938

reference

chebi:87719

InChIKey

BUCIFQOXNYHEOO-YDGGZUKGSA-J

InChI

InChI=1S/C37H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h11-12,23-24,26,30-32,36,48-49H,4-10,13-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b12-11-/t26-,30-,31-,32+,36-/m1/s1

SMILES

CCCCCCCC/C=C\CCCC(=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:87719 chebi:87719	3-oxo-(7Z-hexadecenoyl)-CoA (7Z)-3-ketohexadecenoyl-CoA(4-) (7Z)-3-ketohexadecenoyl-coenzyme A(4-) (7Z)-3-oxohexadecenoyl-CoA(4-) (7Z)-3-oxohexadecenoyl-coenzyme A(4-)
CHEBI:88090 chebi:88090	(7Z)-3-oxohexadecenoyl-CoA (7Z)-3-ketohexadecenoyl-CoA (7Z)-3-ketohexadecenoyl-coenzyme A (7Z)-3-oxohexadecenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(7Z)-3-oxohexadec-7-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
bigg.metabolite:M00849 biggM:M00849	3-Oxo-7-Hexadecenoyl Coenzyme A
metacyc.compound:CPD-19167 metacycM:CPD-19167	3-oxo-(7Z)-hexadecenoyl-CoA 3-oxo-16:1-Delta7-CoA 3-oxo-7-cis-hexadecenoyl-CoA
seed.compound:cpd32368 seedM:cpd32368	3-oxo-(7Z)-hexadecenoyl-CoA 3-oxo-16:1-delta7-CoA 3-oxo-7-cis-hexadecenoyl-CoA
biggM:M_M00849 seedM:M_cpd32368	secondary/obsolete/fantasy identifier