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Substance Name: Onnamide
RN: 115204-07-4
InChIKey: YWUNVHXKGMPHDM-VKRZBNPQSA-N

Note

  • Isolated from marine sponges.

Molecular Formula

  • C39-H63-N5-O12

Molecular Weight

  • 793.95
 
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Names and Synonyms

Name of Substance

  • Onnamide

Systematic Name

  • L-Arginine, N-(12-(hexahydro-4-((hydroxy(tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-yl)acetyl)amino)-8-methoxy-7,7-dimethylpyrano(3,2-d)-1,3-dioxin-6-yl)-11-hydroxy-1-oxo-2,4,6-dodecatrienyl)-, (4S-(4alpha(R*(2S*,5S*,6S*)),4aalpha,6alpha(2E,4E,6E,11S*),8alpha,8aalpha))-

Registry Numbers

CAS Registry Number

  • 115204-07-4

System Generated Number

  • 0115204074

Structure Descriptors

InChI

1S/C39H63N5O12/c1-23-21-39(52-7,56-25(3)24(23)2)32(47)34(48)44-35-31-30(53-22-54-35)33(51-6)38(4,5)28(55-31)20-26(45)16-13-11-9-8-10-12-14-18-29(46)43-27(36(49)50)17-15-19-42-37(40)41/h8-10,12,14,18,24-28,30-33,35,45,47H,1,11,13,15-17,19-22H2,2-7H3,(H,43,46)(H,44,48)(H,49,50)(H4,40,41,42)/b9-8+,12-10+,18-14+/t24-,25-,26-,27?,28-,30+,31+,32-,33-,35?,39-/m1/s1

InChIKey

YWUNVHXKGMPHDM-VKRZBNPQSA-N

Smiles

O1[C@H]2[C@@H]([C@H](C(C)(C)[C@H]1C[C@H](O)CCC\C=C\C=C\C=C\C(N[C@@H](C(=O)O)CCCNC(=N)N)=O)OC)OCO[C@@H]2NC([C@H]([C@@]1(O[C@H](C)[C@@H](C(C1)=C)C)OC)O)=O