Search MNXref
 Feedback

(9Z,12Z,15Z)-hexadecatrienoyl-CoA

PropertiesImage
MNX_IDMNXM10466 Image of MNXM10466
referencechebi:85914
formulaC37H56N7O17P3S
global charge-4
mol weight995.876
InChIKeyJDKLSTJMXDRYAJ-PCRJDALTSA-J
InChIInChI=1S/C37H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h4,6-7,9-10,24-26,30-32,36,47-48H,1,5,8,11-23H2,2-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b7-6-,10-9-/t26-,30-,31-,32+,36-/m1/s1
SMILESC=CC/C=C\C/C=C\CCCCCCCC(=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/C37H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h4,6-7,9-10,24-26,30-32,36,47-48H,1,5,8,11-23H2,2-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b7-6-,10-9-/t26-,30-,31-,32+,36-/m1/s1 Image of MNXM10466
SMILES (mnx)[CH2:1]=[CH:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:28](=[O:46])[S:65][CH2:21][CH2:20][N:39]=[C:27]([CH2:18][CH2:19][N:40]=[C:35]([C@@H:32]([C:37]([CH3:2])([CH3:3])[CH2:23][O:58][P:64]([OH:55])(=[O:56])[O:61][P:63]([OH:53])(=[O:54])[O:57][CH2:22][C@@H:26]1[C@@H:31]([O:60][P:62]([OH:50])([OH:51])=[O:52])[C@@H:30]([OH:47])[C@H:36]([N:44]2[CH:25]=[N:43][C:29]3=[C:33]([NH2:38])[N:41]=[CH:24][N:42]=[C:34]32)[O:59]1)[OH:48])[OH:49])[OH:45]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85914
chebi:85914
JDKLSTJMXDRYAJ-PCRJDALTSA-J 		(9Z,12Z,15Z)-hexadecatrienoyl-CoA
(9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA(4-)
(9Z,12Z)-hexadeca-9,12,15-trienoyl-coenzyme A(4-)
(9Z,12Z,15)-hexadecatrienoyl-CoA
(9Z,12Z,15)-hexadecatrienoyl-coenzyme A

kegg.compound:C21528
keggC:C21528
JDKLSTJMXDRYAJ-PCRJDALTSA-N 		(9Z,12Z)-Hexadeca-9,12,15-trienoyl-CoA

CHEBI:86132
chebi:86132
JDKLSTJMXDRYAJ-PCRJDALTSA-N 		(9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA
(9Z,12Z)-hexadeca-9,12,15-trienoyl-coenzyme A
(9Z,12Z,15)-hexadecatrienoyl-CoA
(9Z,12Z,15)-hexadecatrienoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z)-hexadeca-9,12,15-trienoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

metacyc.compound:CPD-10255
metacycM:CPD-10255
JDKLSTJMXDRYAJ-PCRJDALTSA-J 		(9Z,12Z,15Z)-hexadeca-9,12,15-trienoyl-CoA
16:3-delta9,12,15-CoA
9,12,15-cis-hexadecatrienoyl-CoA
9Z,12Z,15Z-hexadecatrienoyl-CoA

SLM:000485311
slm:000485311
JDKLSTJMXDRYAJ-PCRJDALTSA-J 		(9Z,12Z,15Z)-hexadecatrienoyl-CoA

seed.compound:cpd22616
seedM:cpd22616
JDKLSTJMXDRYAJ-PCRJDALTSA-J 		16:3-delta9,12,15-CoA
(9Z,12Z,15Z)-hexadeca-9,12,15-trienoyl-CoA
9,12,15-cis-hexadecatrienoyl-CoA
9Z,12Z,15Z-hexadecatrienoyl-CoA
9z,12z,15z-hexadecatrienoyl-CoA

keggC:M_C21528
seedM:M_cpd22616 		secondary/obsolete/fantasy identifier