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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 > 5-[7-[(3r,5ar,5br,9s,11as,13bs)-5a,5b,8,8,9,10,11a,13b-octamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > hopanoid > 5-[7-[(3r,5ar,5br,9s,11as,13bs)-5a,5b,8,8,9,10,11a,13b-octamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol

Preferred term

5-[7-[(3r,5ar,5br,9s,11as,13bs)-5a,5b,8,8,9,10,11a,13b-octamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C44H77NO8

inchi

  • InChI=1S/C44H77NO8/c1-23(19-24(2)34(48)35(49)29(47)21-53-38-33(45)36(50)37(51)44(38,52)22-46)27-13-16-40(7)28(27)14-17-42(9)31(40)11-12-32-41(8)20-25(3)26(4)39(5,6)30(41)15-18-43(32,42)10/h11-12,23-38,46-52H,13-22,45H2,1-10H3/t23?,24?,25?,26-,27+,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,40-,41-,42+,43+,44?/m0/s1

inchikey

  • ICVMHEYNHYJMDK-FYXVWVBMSA-N

mass

  • 748.099

monoisotopicmass

  • 747.56492

smiles

  • O(C1C(O)(C(O)C(C1N)O)CO)CC(O)C(O)C(O)C(CC([C@@H]2C3[C@](C4C=CC5[C@@]6(C(C([C@@H](C)C(C6)C)(C)C)CC[C@]5([C@]4(C)CC3)C)C)(C)CC2)C)C

subset

  • 2_STAR

synonym EXACT

  • 5-[7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,10,11a,13b-octamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199313

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