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(2E)-nonenoyl-CoA

MNXM145877 is deprecated and here replaced by MNXM1101923
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1101923 Image of MNXM1101923
referencechebi:76292
formulaC30H46N7O17P3S
global charge-4
mol weight901.719
InChIKeyHBLOTZDYPZAZLE-OWQWVSLFSA-J
InChIInChI=1S/C30H50N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h9-10,17-19,23-25,29,40-41H,4-8,11-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/b10-9+/t19-,23-,24-,25+,29-/m1/s1
SMILESCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C30H50N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h9-10,17-19,23-25,29,40-41H,4-8,11-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b10-9+/t19-,23-,24-,25+,29-/m1/s1 Image of MNXM1101923
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]/[C:21](=[O:39])[S:58][CH2:14][CH2:13][N:32]=[C:20]([CH2:11][CH2:12][N:33]=[C:28]([C@@H:25]([C:30]([CH3:2])([CH3:3])[CH2:16][O:51][P:57]([OH:48])(=[O:49])[O:54][P:56]([OH:46])(=[O:47])[O:50][CH2:15][C@@H:19]1[C@@H:24]([O:53][P:55]([OH:43])([OH:44])=[O:45])[C@@H:23]([OH:40])[C@H:29]([N:37]2[CH:18]=[N:36][C:22]3=[C:26]([NH2:31])[N:34]=[CH:17][N:35]=[C:27]32)[O:52]1)[OH:41])[OH:42])[OH:38]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76292
chebi:76292
HBLOTZDYPZAZLE-OWQWVSLFSA-J 		(2E)-nonenoyl-CoA
(E)-non-2-enoyl-CoA(4-)
(E)-non-2-enoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-non-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
trans-2-nonenoyl-CoA(4-)
trans-2-nonenoyl-coenzyme A(4-)

bigg.metabolite:M00056
biggM:M00056
vmhM:M00056
vmhmetabolite:M00056
HBLOTZDYPZAZLE-OWQWVSLFSA-J 		(2E)-Nonenoyl Coenzyme A

SLM:000389358
slm:000389358
HBLOTZDYPZAZLE-OWQWVSLFSA-J 		(2E)-nonenoyl-CoA

metacyc.compound:CPD-15663
metacycM:CPD-15663
seed.compound:cpd34572
seedM:cpd34572
HBLOTZDYPZAZLE-OWQWVSLFSA-J 		2-trans-nonenoyl-CoA
2E-nonenoyl-CoA

CHEBI:76314
chebi:76314
HBLOTZDYPZAZLE-OWQWVSLFSA-N 		trans-2-nonenoyl-CoA
(E)-non-2-enoyl-CoA
(E)-non-2-enoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-non-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
trans-2-nonenoyl-coenzyme A

biggM:M_M00056
seedM:M_cpd34572
vmhM:M_M00056 		secondary/obsolete/fantasy identifier