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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > 2-deoxyecdysone 22-phosphate(2-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > 2-deoxyecdysone 22-phosphate(2-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organophosphate oxoanion > 2-deoxyecdysone 22-phosphate(2-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > 2-deoxyecdysone 22-phosphate(2-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > 2-deoxyecdysone 22-phosphate(2-)

Preferred term

2-deoxyecdysone 22-phosphate(2-)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • -2

formula

  • C27H43O8P

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

is_conjugate_base_of

mass

  • 526.608

monoisotopicmass

  • 526.27065

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

subset

  • 2_STAR

synonym RELATED

  • 2-deoxyecdysone 22-phosphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:147386

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