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a 4-saturated-(3S)-3-hydroxyacyl-CoA

MNXM149456 is deprecated and here replaced by MNXM729188
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM729188 Image of MNXM729188
referencechebi:137480
formulaC25H37N7O18P3S*
global charge-4
mol weight 
InChIKey 
InChI 
SMILES[*]C[C@H](O)CC(=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/C26H44N7O18P3S/c1-4-14(34)9-17(36)55-8-7-28-16(35)5-6-29-24(39)21(38)26(2,3)11-48-54(45,46)51-53(43,44)47-10-15-20(50-52(40,41)42)19(37)25(49-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,34,37-38H,4-11H2,1-3H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,15+,19+,20+,21-,25+/m0/s1/i1+1 Image of MNXM729188
SMILES (mnx)[13CH3:1][CH2:4][C@@H:14]([CH2:9][C:17](=[O:36])[S:55][CH2:8][CH2:7][N:28]=[C:16]([CH2:5][CH2:6][N:29]=[C:24]([C@@H:21]([C:26]([CH3:2])([CH3:3])[CH2:11][O:48][P:54]([OH:45])(=[O:46])[O:51][P:53]([OH:43])(=[O:44])[O:47][CH2:10][C@@H:15]1[C@@H:20]([O:50][P:52]([OH:40])([OH:41])=[O:42])[C@@H:19]([OH:37])[C@H:25]([N:33]2[CH:13]=[N:32][C:18]3=[C:22]([NH2:27])[N:30]=[CH:12][N:31]=[C:23]32)[O:49]1)[OH:38])[OH:39])[OH:35])[OH:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:137480
chebi:137480 		a 4-saturated-(3S)-3-hydroxyacyl-CoA
4-saturated-(3S)-hydroxyacyl-CoA(4-)

seed.compound:cpd27345
seedM:cpd27345 		L-3-HYDROXYACYL-COA
Long-Chain-3S-Hydroxyacyl-CoAs
Short-Chain-3S-Hydroxyacyl-CoAs

metacyc.compound:L-3-HYDROXYACYL-COA
metacycM:L-3-HYDROXYACYL-COA 		a 2,3,4-saturated (3S)-3-hydroxyacyl-CoA
(3S)-3-hydroxyacyl-CoA
(S)-3-hydroxyacyl-CoA
3-OH-acyl-CoA
3-hydroxyacyl-CoA
RCHOHCH2CO-CoA
a (S)-3-hydroxyacyl-CoA
a 3-OH-acyl-CoA
a 3-hydroxyacyl-CoA
a trans-3-hydroxyacyl-CoA
an L-3-hydroxyacyl-CoA
trans-3-hydroxyacyl-CoA

metacyc.compound:Short-Chain-3S-Hydroxyacyl-CoAs
metacycM:Short-Chain-3S-Hydroxyacyl-CoAs 		a short-chain (3S)-3-hydroxyacyl-CoA

seedM:M_cpd27345 		secondary/obsolete/fantasy identifier