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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > pip(18:1(11z)/txb2)

Preferred term

pip(18:1(11z)/txb2)  

Type

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

Broader concept

charge

  • 0

formula

  • C47H84O20P2

inchi

  • InChI=1S/C47H84O20P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-27-39(50)62-32-35-33-63-69(60,61)67-47-45(56)44(55)42(53)36(26-22-19-20-24-28-40(51)64-35)37(49)31-41(52)65-38(30-29-34(48)25-21-6-4-2)43(54)46(47)66-68(57,58)59/h10-11,19,22,29-30,34-38,41-49,52-56H,3-9,12-18,20-21,23-28,31-33H2,1-2H3,(H,60,61)(H2,57,58,59)/b11-10-,22-19-,30-29?/t34-,35+,36-,37-,38+,41?,42+,43+,44-,45+,46+,47-/m0/s1

inchikey

  • RVRUDKRQYUCAAU-NQICWEQASA-N

mass

  • 1031.117

monoisotopicmass

  • 1030.50312

smiles

  • P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)CC(O[C@@H]([C@@H](O)[C@H]2OP(O)(O)=O)C=C[C@@H](O)CCCCC)O)CC=CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCC/C=C/CCCCCC)=O)(O)=O

subset

  • 2_STAR

synonym EXACT

  • [(1S,6R,12Z,15S,16S,20R,21R,22R,23R,24S,25R)-3,16,18,21,23,24,25-heptahydroxy-20-[(3S)-3-hydroxyoct-1-enyl]-3,8-dioxo-22-phosphonooxy-2,4,7,19-tetraoxa-3lambda5-phosphabicyclo[13.7.3]pentacos-12-en-6-yl]methyl (Z)-octadec-11-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230087

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