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Chemistry, part 2

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 > isoprenoid > terpenoid > sesterterpenoid > hydroxyphthioceranic acid (c45)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesterterpenoid > hydroxyphthioceranic acid (c45)

Preferred term

hydroxyphthioceranic acid (c45)  

Type

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

Broader concept

charge

  • 0

formula

  • C45H90O3

inchi

  • InChI=1S/C45H90O3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-44(46)42(9)33-40(7)31-38(5)29-36(3)27-35(2)28-37(4)30-39(6)32-41(8)34-43(10)45(47)48/h35-44,46H,11-34H2,1-10H3,(H,47,48)/t35-,36+,37-,38+,39-,40+,41-,42+,43-,44?/m0/s1

inchikey

  • LKNZMIXYFQJEFL-FGNPDILZSA-N

mass

  • 679.212

monoisotopicmass

  • 678.68900

smiles

  • OC([C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@H](C)C(O)=O)C)C)C)C)C)C)C)C)CCCCCCCCCCCCCCCCC

subset

  • 2_STAR

synonym EXACT

  • (2S,4S,6S,8S,10S,12R,14R,16R,18R)-19-hydroxy-2,4,6,8,10,12,14,16,18-nonamethylhexatriacontanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169913

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