**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

fulvestrant

Properties Image MNX_ID MNXM1585752 reference chebi:31638 formula C32H47F5O3S global charge 0 mol weight 606.782 InChIKey VWUXBMIQPBEWFH-WCCTWKNTSA-N InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 SMILES C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O MNX internals InChI (mnx) InChI=1/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 SMILES (mnx) [CH3:1][C@:30]12[CH2:17][CH2:15][C@@H:26]3[c:25]4[cH:12][cH:11][c:24]([OH:38])[cH:21][c:23]4[CH2:20][C@@H:22]([CH2:10][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][CH2:8][CH2:18][S+:41]([CH2:19][CH2:9][CH2:16][C:31]([C:32]([F:35])([F:36])[F:37])([F:33])[F:34])[O-:40])[C@H:29]3[C@@H:27]1[CH2:13][CH2:14][C@@H:28]2[OH:39]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 12 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:31638 chebi:31638 VWUXBMIQPBEWFH-WCCTWKNTSA-N	fulvestrant (7alpha,17beta)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol 7alpha-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17beta-diol Faslodex ICI 182780 ICI-182780 fulvestrantum
vmhM:fulv vmhM:fulv vmhmetabolite:fulv vmhmetabolite:fulv VWUXBMIQPBEWFH-WCCTWKNTSA-N	Fulvestrant
kegg.drug:D01161 keggD:D01161 VWUXBMIQPBEWFH-WCCTWKNTSA-N	Fulvestrant (JAN/USP/INN) Faslodex (TN)
chebi:87729 keggD:M_D01161 vmhM:M_fulv	secondary/obsolete/fantasy identifier