Feedback

(3E)-octenoyl-CoA

MNXM101815 is deprecated and here replaced by MNXM1107666
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107666

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

formula

C₂₉H₄₄N₇O₁₇P₃S

charge

-4

mass

887.17492

reference

chebi:131962

InChIKey

CSCVMTFVEARIET-WQIYAIRVSA-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:131962 chebi:131962	(3E)-octenoyl-CoA (3E)-octenoyl-CoA(4-) (3E)-octenoyl-coenzyme A(4-) trans-3-octenoyl-CoA(4-) trans-oct-3-enoyl-CoA(4-) trans-oct-3-enoyl-coenzyme A(4-)
CHEBI:132269 chebi:132269	(3E)-octenoyl-CoA (3E)-octenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(3E)-oct-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} trans-3-octenoyl-CoA trans-oct-3-enoyl-CoA trans-oct-3-enoyl-coenzyme A
sabiork.compound:23772 sabiorkM:23772	trans-3-Octenoyl-CoA (3E)-Octenoyl-CoA