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(24S)-hydroxycholesterol 3-sulfate

PropertiesImage
MNX_IDMNXM163025 Image of MNXM163025
referencechebi:136567
formulaC27H45O5S
global charge-1
mol weight481.719
InChIKeyUZRYBCGKNZOEMQ-XWXSNNQWSA-M
InChIInChI=1S/C27H46O5S/c1-17(2)25(28)11-6-18(3)22-9-10-23-21-8-7-19-16-20(32-33(29,30)31)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28H,6,8-16H2,1-5H3,(H,29,30,31)/p-1/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
SMILESCC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H46O5S/c1-17(2)25(28)11-6-18(3)22-9-10-23-21-8-7-19-16-20(32-33(29,30)31)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28H,6,8-16H2,1-5H3,(H,29,30,31)/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1 Image of MNXM163025
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[C@H:25]([CH2:11][CH2:6][C@@H:18]([CH3:3])[C@H:22]1[CH2:9][CH2:10][C@H:23]2[C@@H:21]3[CH2:8][CH:7]=[C:19]4[CH2:16][C@@H:20]([O:32][S:33]([OH:29])(=[O:30])=[O:31])[CH2:12][CH2:14][C@:26]4([CH3:4])[C@H:24]3[CH2:13][CH2:15][C@:27]12[CH3:5])[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136567
chebi:136567
UZRYBCGKNZOEMQ-XWXSNNQWSA-M 		(24S)-hydroxycholesterol 3-sulfate
(24S)-hydroxycholesterol 3-sulfate(1-)
(3beta,24S)-24-hydroxycholest-5-en-3-yl sulfate

sabiork.compound:31524
sabiorkM:31524
UZRYBCGKNZOEMQ-XWXSNNQWSA-M 		(24S)-Hydroxycholesterol 3-sulfate
(3beta,24S)-24-Hydroxycholest-5-en-3-yl sulfate

SLM:000597761
slm:000597761
UZRYBCGKNZOEMQ-XWXSNNQWSA-M 		(24S)-hydroxycholesterol 3-sulfate

CHEBI:137388
chebi:137388
UZRYBCGKNZOEMQ-XWXSNNQWSA-N 		(24S)-hydroxycholesterol 3-sulfate
(3beta,24S)-24-hydroxycholest-5-en-3-yl hydrogen sulfate
24-OHChol-3-sulfate