CHEBI:147380 - ecdysone 22-phosphate(2−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name ecdysone 22-phosphate(2−)
ChEBI ID CHEBI:147380
ChEBI ASCII Name ecdysone 22-phosphate(2-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C27H43O9P
Net Charge -2
Average Mass 542.607
Monoisotopic Mass 542.26557
InChI InChI=1S/C27H45O9P/c1-15(23(36-37(33,34)35)8-9-24(2,3)31)16-7-11-27(32)18-12-20(28)19-13-21(29)22(30)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19,21-23,29-32H,6-11,13-14H2,1-5H3,(H2,33,34,35)/p-2/t15-,16+,17-,19-,21+,22-,23+,25+,26+,27+/m0/s1
InChIKey FUMILPJJVXGPIT-LAMJOLGYSA-L
SMILES C1=2[C@]3([C@](CC[C@@]1([C@@]4([C@](C(C2)=O)(C[C@H]([C@H](C4)O)O)[H])C)[H])([C@@](CC3)([H])[C@@H]([C@@H](CCC(C)(C)O)OP(=O)([O-])[O-])C)C)O
ChEBI Ontology
Outgoing ecdysone 22-phosphate(2−) (CHEBI:147380) is a ecdysone phosphate (CHEBI:23893)
ecdysone 22-phosphate(2−) (CHEBI:147380) is a organophosphate oxoanion (CHEBI:58945)
Synonym Source
ecdysone 22-phosphate UniProt
Manual Xref Database
CPD-15594 MetaCyc accession
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Citation Waiting for Citations Type Source
12721294 PubMed citation SUBMITTER