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decanoyl-4'-phosphopantetheine

PropertiesImage
MNX_IDMNXM163351 Image of MNXM163351
referencechebi:132014
formulaC21H39N2O8PS
global charge-2
mol weight510.59
InChIKeyWBQLWGUAQDSZRE-IBGZPJMESA-L
InChIInChI=1S/C21H41N2O8PS/c1-4-5-6-7-8-9-10-11-18(25)33-15-14-22-17(24)12-13-23-20(27)19(26)21(2,3)16-31-32(28,29)30/h19,26H,4-16H2,1-3H3,(H,22,24)(H,23,27)(H2,28,29,30)/p-2/t19-/m0/s1
SMILESCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C21H41N2O8PS/c1-4-5-6-7-8-9-10-11-18(25)33-15-14-22-17(24)12-13-23-20(27)19(26)21(2,3)16-31-32(28,29)30/h19,26H,4-16H2,1-3H3,(H,22,24)(H,23,27)(H2,28,29,30)/t19-/m0/s1 Image of MNXM163351
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:18](=[O:25])[S:33][CH2:15][CH2:14][N:22]=[C:17]([CH2:12][CH2:13][N:23]=[C:20]([C@@H:19]([C:21]([CH3:2])([CH3:3])[CH2:16][O:31][P:32]([OH:28])([OH:29])=[O:30])[OH:26])[OH:27])[OH:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:132014
chebi:132014
WBQLWGUAQDSZRE-IBGZPJMESA-L 		decanoyl-4'-phosphopantetheine
N-[2-(decanoylsulfanyl)ethyl]-N(3)-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-beta-alaninamide
S-capryl-4-phosphopantetheine(2-)
S-decanoyl-4'-phosphopantetheine(2-)
capryl-4-phosphopantetheine(2-)
decanoyl-4'-phosphopantetheine(2-)

CHEBI:132313
chebi:132313
WBQLWGUAQDSZRE-IBGZPJMESA-N 		S-decanoyl-4'-phosphopantetheine
S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] decanethioate
S-capryl-4'-phosphopantetheine(2-)
S-capryl-D-pantetheine 4'-phosphate
S-decanoyl-D-pantetheine 4'-phosphate
capryl-4'-phosphopantetheine(2-)
decanoyl-4'-phosphopantetheine

SLM:000597621
slm:000597621
WBQLWGUAQDSZRE-IBGZPJMESA-L 		decanoyl-4'-phosphopantetheine