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6-carboxyhex-2-enoyl-CoA

MNXM2771 is deprecated and here replaced by MNXM1371486
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371486 Image of MNXM1371486
referencechebi:57359
formulaC28H39N7O19P3S
global charge-5
mol weight902.639
InChIKeyJLSPXYVUFSDGNY-UYRKPTJQSA-I
InChIInChI=1S/C28H44N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h5,7,14-16,21-23,27,40-41H,3-4,6,8-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-5/t16-,21-,22-,23+,27-/m1/s1
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=CCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C28H44N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h5,7,14-16,21-23,27,40-41H,3-4,6,8-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/b7-5?/t16-,21-,22-,23+,27-/m1/s1 Image of MNXM1371486
SMILES (mnx)[CH3:1][C:28]([CH3:2])([CH2:13][O:51][P:57]([OH:48])(=[O:49])[O:54][P:56]([OH:46])(=[O:47])[O:50][CH2:12][C@@H:16]1[C@@H:22]([O:53][P:55]([OH:43])([OH:44])=[O:45])[C@@H:21]([OH:40])[C@H:27]([N:35]2[CH:15]=[N:34][C:20]3=[C:24]([NH2:29])[N:32]=[CH:14][N:33]=[C:25]32)[O:52]1)[C@H:23]([C:26](=[N:31][CH2:9][CH2:8][C:17](=[N:30][CH2:10][CH2:11][S:58][C:19]([CH:7]=[CH:5][CH2:3][CH2:4][CH2:6][C:18](=[O:37])[OH:38])=[O:39])[OH:36])[OH:42])[OH:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57359
chebi:57359
JLSPXYVUFSDGNY-UYRKPTJQSA-I 		6-carboxyhex-2-enoyl-CoA
2,3-didehydropimeloyl-CoA(5-)
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxylatohex-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}

CHEBI:15503
chebi:15503
JLSPXYVUFSDGNY-UYRKPTJQSA-N 		2,3-didehydropimeloyl-CoA
2,3-Didehydro-pimeloyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhex-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
6-Carboxyhex-2-enoyl-CoA

lipidmaps:LMFA07050170
lipidmapsM:LMFA07050170
JLSPXYVUFSDGNY-UYRKPTJQSA-N 		2,3-didehydropimeloyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhex-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
CoA 7:2
O2

vmhM:6chex2ecoa
vmhmetabolite:6chex2ecoa
JLSPXYVUFSDGNY-UYRKPTJQSA-N 		6-Carboxyhex-2-enoyl-CoA

chebi:12208
chebi:20707
chebi:2174
vmhM:M_6chex2ecoa 		secondary/obsolete/fantasy identifier