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(24S)-hydroxycholesterol 3,24-disulfate

PropertiesImage
MNX_IDMNXM163024 Image of MNXM163024
referencechebi:136568
formulaC27H44O8S2
global charge-2
mol weight560.775
InChIKeyASFDNKQCXMJFKH-XWXSNNQWSA-L
InChIInChI=1S/C27H46O8S2/c1-17(2)25(35-37(31,32)33)11-6-18(3)22-9-10-23-21-8-7-19-16-20(34-36(28,29)30)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25H,6,8-16H2,1-5H3,(H,28,29,30)(H,31,32,33)/p-2/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
SMILESCC(C)[C@H](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)OS(=O)(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C27H46O8S2/c1-17(2)25(35-37(31,32)33)11-6-18(3)22-9-10-23-21-8-7-19-16-20(34-36(28,29)30)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25H,6,8-16H2,1-5H3,(H,28,29,30)(H,31,32,33)/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1 Image of MNXM163024
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:34][S:36]([OH:28])(=[O:29])=[O:30])[CH2:12][CH2:14][C@:26]4([CH3:4])[C@H:24]3[CH2:13][CH2:15][C@:27]12[CH3:5])[O:35][S:37]([OH:31])(=[O:32])=[O:33]
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:136568
chebi:136568
ASFDNKQCXMJFKH-XWXSNNQWSA-L 		(24S)-hydroxycholesterol 3,24-disulfate
(24S)-hydroxycholesterol 3,24-disulfate(2-)
(3beta,24S)-cholest-5-ene-3,24-diyl disulfate

sabiork.compound:31525
sabiorkM:31525
ASFDNKQCXMJFKH-XWXSNNQWSA-L 		(24S)-Hydroxycholesterol 3,24-disulfate
(3beta,24S)-Cholest-5-ene-3,24-diyl disulfate

SLM:000597762
slm:000597762
ASFDNKQCXMJFKH-XWXSNNQWSA-L 		(24S)-hydroxycholesterol 3,24-disulfate

CHEBI:137389
chebi:137389
ASFDNKQCXMJFKH-XWXSNNQWSA-N 		(24S)-hydroxycholesterol 3,24-disulfate
(3beta,24S)-cholest-5-ene-3,24-diyl bis(hydrogen sulfate)
24-OHChol-3,24-disulfate