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3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-4'-phosphopantetheine

PropertiesImage
MNX_IDMNXM163193 Image of MNXM163193
referencechebi:132021
formulaC38H65N2O11PS
global charge-2
mol weight788.982
InChIKeyFIWSQOCVKNESKS-JWGNTNLOSA-L
InChIInChI=1S/C38H67N2O11PS/c1-22(26-10-11-27-32-28(20-30(43)38(26,27)6)37(5)14-12-25(41)18-24(37)19-29(32)42)8-7-9-23(2)35(47)53-17-16-39-31(44)13-15-40-34(46)33(45)36(3,4)21-51-52(48,49)50/h22-30,32-33,41-43,45H,7-21H2,1-6H3,(H,39,44)(H,40,46)(H2,48,49,50)/p-2/t22-,23?,24+,25-,26-,27+,28+,29-,30+,32+,33+,37+,38-/m1/s1
SMILESCC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C38H67N2O11PS/c1-22(26-10-11-27-32-28(20-30(43)38(26,27)6)37(5)14-12-25(41)18-24(37)19-29(32)42)8-7-9-23(2)35(47)53-17-16-39-31(44)13-15-40-34(46)33(45)36(3,4)21-51-52(48,49)50/h22-30,32-33,41-43,45H,7-21H2,1-6H3,(H,39,44)(H,40,46)(H2,48,49,50)/t22-,23?,24+,25-,26-,27+,28+,29-,30+,32+,33+,37+,38-/m1/s1 Image of MNXM163193
SMILES (mnx)[CH3:1][C@H:22]([CH2:8][CH2:7][CH2:9][CH:23]([CH3:2])[C:35](=[O:47])[S:53][CH2:17][CH2:16][N:39]=[C:31]([CH2:13][CH2:15][N:40]=[C:34]([C@@H:33]([C:36]([CH3:3])([CH3:4])[CH2:21][O:51][P:52]([OH:48])([OH:49])=[O:50])[OH:45])[OH:46])[OH:44])[C@H:26]1[CH2:10][CH2:11][C@H:27]2[C@H:32]3[C@H:28]([CH2:20][C@H:30]([OH:43])[C@:38]12[CH3:6])[C@@:37]1([CH3:5])[CH2:14][CH2:12][C@@H:25]([OH:41])[CH2:18][C@H:24]1[CH2:19][C@H:29]3[OH:42]
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:132021
chebi:132021
FIWSQOCVKNESKS-JWGNTNLOSA-L 		3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-4'-phosphopantetheine
(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-26-oxocholestan-26-yl]sulfanyl}ethyl)amino]propyl}amino)butyl phosphate
3,7,12-trihydroxy-5beta-cholestan-26-oyl-4'-phosphopantetheine(2-)
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-4'-phosphopantetheine(2-)
S-(3,7,12-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine(2-)
S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine(2-)
S-trihydroxycoprostanoyl-4'-phosphopantetheine(2-)
trihydroxycoprostanoyl-4'-phosphopantetheine(2-)

SLM:000501449
slm:000501449
FIWSQOCVKNESKS-JWGNTNLOSA-L 		3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-4'-phosphopantetheine

CHEBI:132322
chebi:132322
FIWSQOCVKNESKS-JWGNTNLOSA-N 		S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine
3,7,12-trihydroxy-5beta-cholestan-26-oyl-4'-phosphopantetheine
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-4'-phosphopantetheine
S-(3,7,12-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine
S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-D-pantetheine 4'-phosphate
S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestane-26-thioate
S-trihydroxycoprostanoyl-4'-phosphopantetheine
trihydroxycoprostanoyl-4'-phosphopantetheine