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(2E,5Z)-dodecadienoyl-CoA

MNXM163953 is deprecated and here replaced by MNXM1368550
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368550 Image of MNXM1368550
referencechebi:232684
formulaC33H50N7O17P3S
global charge-4
mol weight941.784
InChIKeyZSJRXHRCABOSNC-SHJPOGNXSA-J
InChIInChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h9-10,12-13,20-22,26-28,32,43-44H,4-8,11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b10-9-,13-12+/t22-,26-,27-,28+,32-/m1/s1
SMILESCCCCCC/C=C\C/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/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h9-10,12-13,20-22,26-28,32,43-44H,4-8,11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b10-9-,13-12+/t22-,26-,27-,28+,32-/m1/s1 Image of MNXM1368550
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]/[C:24](=[O:42])[S:61][CH2:17][CH2:16][N:35]=[C:23]([CH2:14][CH2:15][N:36]=[C:31]([C@@H:28]([C:33]([CH3:2])([CH3:3])[CH2:19][O:54][P:60]([OH:51])(=[O:52])[O:57][P:59]([OH:49])(=[O:50])[O:53][CH2:18][C@@H:22]1[C@@H:27]([O:56][P:58]([OH:46])([OH:47])=[O:48])[C@@H:26]([OH:43])[C@H:32]([N:40]2[CH:21]=[N:39][C:25]3=[C:29]([NH2:34])[N:37]=[CH:20][N:38]=[C:30]32)[O:55]1)[OH:44])[OH:45])[OH:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:232684
chebi:232684
ZSJRXHRCABOSNC-SHJPOGNXSA-J 		(2E,5Z)-dodecadienoyl-CoA
(2trans,5cis)-dodecadienoyl-CoA(4-)
(E,Z)-dodeca-2,5-dienoyl-CoA(4-)
12:2(2E,5Z)-CoA(4-)

metacyc.compound:CPD-19150
metacycM:CPD-19150
ZSJRXHRCABOSNC-SHJPOGNXSA-J 		(2E,5Z)-dodec-2,5-dienoyl-CoA
(2E,5Z)-dodecenoyl-CoA
12:2-Delta2,Delta5-CoA
2-trans,5-cis-dodecenoyl-CoA

seed.compound:cpd35420
seedM:cpd35420
ZSJRXHRCABOSNC-SHJPOGNXSA-J 		(2E,5Z)-dodecenoyl-CoA
12:2-delta2,delta5-CoA
2-trans,5-cis-dodecenoyl-CoA

lipidmaps:LMFA07050375
lipidmapsM:LMFA07050375
ZSJRXHRCABOSNC-SHJPOGNXSA-N 		trans,cis-Lauro-2,5-dienoyl-CoA
CoA 12:2
{[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(2E,5Z)-dodeca-2,5-dienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

vmhM:CE2596
vmhmetabolite:CE2596
ZSJRXHRCABOSNC-SHJPOGNXSA-J 		trans,cis-dodeca-2,5-dienoyl-CoA

seedM:M_cpd35420
vmhM:M_CE2596 		secondary/obsolete/fantasy identifier