EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68644 - estramustine phosphate(2−)

ChEBI IDCHEBI:68644
ChEBI Nameestramustine phosphate(2−)
Stars
ASCII Nameestramustine phosphate(2-)
DefinitionA steroid phosphate oxoanion which is the dianion obtained by deprotonation of the phosphate OH groups of estramustine phosphate.
Last Modified8 October 2012
Submitternamrata
DownloadsMolfile
FormulaC23H30Cl2NO6P
Net Charge-2
Average Mass518.374
Monoisotopic Mass517.11988
SMILES[H][C@@]12CCc3cc(OC(=O)N(CCCl)CCCl)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](OP(=O)([O-])[O-])CC[C@@]21[H]
InChIInChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/p-2/t18-,19-,20+,21+,23+/m1/s1
InChIKeyADFOJJHRTBFFOF-RBRWEJTLSA-L
ChEBI Ontology
Outgoing Relation(s)
estramustine phosphate(2−) (CHEBI:68644) is a steroid phosphate oxoanion (CHEBI:68607)
estramustine phosphate(2−) (CHEBI:68644) is conjugate base of estramustine phosphate (CHEBI:68643)
Incoming Relation(s)
estramustine sodium phosphate (CHEBI:31562) has part estramustine phosphate(2−) (CHEBI:68644)
estramustine phosphate (CHEBI:68643) is conjugate acid of estramustine phosphate(2−) (CHEBI:68644)
IUPAC Name 
(17β)-3-{[bis(2-chloroethyl)carbamoyl]oxy}estra-1(10),2,4-trien-17-yl phosphate