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eurysterol A sulfonic acid

PropertiesImage
MNX_IDMNXM155922 Image of MNXM155922
referencechebi:68591
formulaC27H46O7S
global charge0
mol weight514.725
InChIKeyMWTQCWZOXMULHF-QZSJCTLHSA-N
InChIInChI=1S/C27H46O7S/c1-17(2)6-5-7-18(3)20-8-9-21-24(20,4)12-11-22-25-13-10-19(34-35(30,31)32)14-27(25,29)23(28)15-26(21,22)33-16-25/h17-23,28-29H,5-16H2,1-4H3,(H,30,31,32)/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27+/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C[C@@H](O)[C@@]2(O)C[C@@H](OS(=O)(=O)O)CC[C@]12CO3
MNX internals
InChI (mnx)InChI=1/C27H46O7S/c1-17(2)6-5-7-18(3)20-8-9-21-24(20,4)12-11-22-25-13-10-19(34-35(30,31)32)14-27(25,29)23(28)15-26(21,22)33-16-25/h17-23,28-29H,5-16H2,1-4H3,(H,30,31,32)/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27+/m1/s1 Image of MNXM155922
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[CH2:6][CH2:5][CH2:7][C@@H:18]([CH3:3])[C@H:20]1[CH2:8][CH2:9][C@@H:21]2[C@:24]1([CH3:4])[CH2:12][CH2:11][C@@H:22]1[C@@:25]34[CH2:13][CH2:10][C@H:19]([O:34][S:35]([OH:30])(=[O:31])=[O:32])[CH2:14][C@:27]3([OH:29])[C@H:23]([OH:28])[CH2:15][C@@:26]21[O:33][CH2:16]4
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68591
chebi:68591
MWTQCWZOXMULHF-QZSJCTLHSA-N 		eurysterol A sulfonic acid
(3beta,5alpha,6beta)-5,6-dihydroxy-8,19-epoxycholestan-3-yl hydrogen sulfate
(3beta,5alpha,6beta)-5,6-dihydroxy-8,19-epoxycholestan-3-yl sulfonic acid
eurysterol A hydrogen sulfate

lipidmaps:LMST05020034
lipidmapsM:LMST05020034
MWTQCWZOXMULHF-QZSJCTLHSA-N 		eurysterol A sulfonic acid
(3beta,5alpha,6beta)-5,6-dihydroxy-8,19-epoxycholestan-3-yl hydrogen sulfate
5alpha,6beta-dihydroxy-8,19-epoxycholestan-3beta-yl hydrogen sulfate
O4
S
ST 27:1

CHEBI:68592
chebi:68592
MWTQCWZOXMULHF-QZSJCTLHSA-M 		eurysterol A(1-)
(3beta,5alpha,6beta)-5,6-dihydroxy-8,19-epoxycholestan-3-yl sulfate
eurysterol A sulfate anion
eurysterol A sulfate(1-)