CHEBI:147386 - 2-deoxyecdysone 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 2-deoxyecdysone 22-phosphate(2−)
ChEBI ID CHEBI:147386
ChEBI ASCII Name 2-deoxyecdysone 22-phosphate(2-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C27H43O8P
Net Charge -2
Average Mass 526.608
Monoisotopic Mass 526.27065
InChI InChI=1S/C27H45O8P/c1-16(23(35-36(32,33)34)9-10-24(2,3)30)18-8-13-27(31)20-15-22(29)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21,23,28,30-31H,6-14H2,1-5H3,(H2,32,33,34)/p-2/t16-,17-,18+,19-,21-,23+,25+,26+,27+/m0/s1
InChIKey AOKIBCRWTSJHIE-XNSSJAPWSA-L
SMILES C1=2[C@]3([C@](CC[C@@]1([C@@]4([C@](C(C2)=O)(C[C@H](CC4)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 2-deoxyecdysone 22-phosphate(2−) (CHEBI:147386) is a organophosphate oxoanion (CHEBI:58945)
2-deoxyecdysone 22-phosphate(2−) (CHEBI:147386) is conjugate base of 2-deoxyecdysone (CHEBI:19566)
Incoming 2-deoxyecdysone (CHEBI:19566) is conjugate acid of 2-deoxyecdysone 22-phosphate(2−) (CHEBI:147386)
Synonym Source
2-deoxyecdysone 22-phosphate UniProt
Manual Xref Database
CPD-15649 MetaCyc accession
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Citation Waiting for Citations Type Source
12721294 PubMed citation SUBMITTER