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4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-)

PropertiesImage
MNX_IDMNXM745107 Image of MNXM745107
referencechebi:136936
formulaC24H31O9
global charge-1
mol weight463.503
InChIKeyHGCOILRQOIIUJW-ICTMVFLBSA-M
InChIInChI=1S/C24H32O9/c1-24-9-8-11-10-4-6-15(32-23-20(29)18(27)19(28)21(33-23)22(30)31)17(26)13(10)3-2-12(11)14(24)5-7-16(24)25/h4,6,11-12,14,16,18-21,23,25-29H,2-3,5,7-9H2,1H3,(H,30,31)/p-1/t11-,12-,14+,16+,18+,19+,20-,21+,23-,24+/m1/s1
SMILESC[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C24H32O9/c1-24-9-8-11-10-4-6-15(32-23-20(29)18(27)19(28)21(33-23)22(30)31)17(26)13(10)3-2-12(11)14(24)5-7-16(24)25/h4,6,11-12,14,16,18-21,23,25-29H,2-3,5,7-9H2,1H3,(H,30,31)/t11-,12-,14+,16+,18+,19+,20-,21+,23-,24+/m1/s1 Image of MNXM745107
SMILES (mnx)[CH3:1][C@:24]12[CH2:9][CH2:8][C@@H:11]3[c:10]4[cH:4][cH:6][c:15]([O:32][C@H:23]5[C@H:20]([OH:29])[C@@H:18]([OH:27])[C@H:19]([OH:28])[C@@H:21]([C:22](=[O:30])[OH:31])[O:33]5)[c:17]([OH:26])[c:13]4[CH2:3][CH2:2][C@H:12]3[C@@H:14]1[CH2:5][CH2:7][C@@H:16]2[OH:25]
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:136936
chebi:136936
HGCOILRQOIIUJW-ICTMVFLBSA-M 		4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-)
(17beta)-4,17-dihydroxyestra-1(10),2,4-trien-3-yl beta-D-glucopyranosiduronate
4,17beta-dihydroxyestra-1(10),2,4-trien-3-yl beta-D-glucopyranosiduronate
4-OHE2 3G(1-)
4-hydroxy-17beta-estradiol 3-(beta-D-glucuronide)(1-)
4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronate)
4-hydroxy-17beta-estradiol 3-beta-glucuronide(1-)
4-hydroxy-17beta-estradiol 3-glucuronide(1-)

SLM:000597805
slm:000597805
HGCOILRQOIIUJW-ICTMVFLBSA-M 		4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronate)

CHEBI:137911
chebi:137911
HGCOILRQOIIUJW-ICTMVFLBSA-N 		4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide)
(17beta)-4,17-dihydroxyestra-1(10),2,4-trien-3-yl beta-D-glucopyranosiduronic acid
4,17beta-dihydroxyestra-1(10),2,4-trien-3-yl beta-D-glucopyranosiduronic acid
4-OHE2 3G
4-hydroxy-17beta-estradiol 3-(beta-D-glucuronide)
4-hydroxy-17beta-estradiol 3-beta-glucuronide
4-hydroxy-17beta-estradiol 3-glucuronide
4-hydroxyestradiol 3-glucuronide