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Chemistry, part 2

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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 > triterpenoid > hopanoid > n-[(2s,3r,4r)-7-[(3r,5ar,5br,7as,11as,11br,13ar,13bs)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctyl]hexadec-9-enamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > hopanoid > n-[(2s,3r,4r)-7-[(3r,5ar,5br,7as,11as,11br,13ar,13bs)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctyl]hexadec-9-enamide

Preferred term

n-[(2s,3r,4r)-7-[(3r,5ar,5br,7as,11as,11br,13ar,13bs)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctyl]hexadec-9-enamide  

Type

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

Broader concept

charge

  • 0

formula

  • C51H91NO4

inchi

  • InChI=1S/C51H91NO4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-23-45(55)52-36-41(54)46(56)40(53)25-24-37(2)38-28-33-48(5)39(38)29-34-50(7)43(48)26-27-44-49(6)32-22-31-47(3,4)42(49)30-35-51(44,50)8/h14-15,37-44,46,53-54,56H,9-13,16-36H2,1-8H3,(H,52,55)/t37?,38-,39?,40-,41+,42+,43-,44-,46-,48+,49+,50-,51-/m1/s1

inchikey

  • VVUXSAGBXAXMMD-ZZBPEHDDSA-N

mass

  • 782.292

monoisotopicmass

  • 781.69481

smiles

  • O=C(NC[C@H](O)[C@H](O)[C@H](O)CCC([C@@H]1C2[C@]([C@@H]3[C@@]([C@]4([C@@H]([C@@]5([C@H](C(CCC5)(C)C)CC4)C)CC3)C)(C)CC2)(C)CC1)C)CCCCCCCC=CCCCCCC

subset

  • 2_STAR

synonym EXACT

  • N-[(2S,3R,4R)-7-[(3R,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctyl]hexadec-9-enamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224793

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