skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > echinoserine
organooxygen compound > carboxamide > peptide > echinoserine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > echinoserine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > echinoserine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > echinoserine

Preferred term

echinoserine  

Type

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

Broader concept

charge

  • 0

formula

  • C51H68N12O14S2

inchi

  • InChI=1S/C51H68N12O14S2/c1-25(2)38(49(74)75)61(8)47(72)37(60(7)45(70)27(5)54-43(68)35(22-64)58-41(66)33-20-52-29-16-12-14-18-31(29)56-33)24-79-51(78-11)40(48(73)62(9)39(26(3)4)50(76)77)63(10)46(71)28(6)55-44(69)36(23-65)59-42(67)34-21-53-30-17-13-15-19-32(30)57-34/h12-21,25-28,35-40,51,64-65H,22-24H2,1-11H3,(H,54,68)(H,55,69)(H,58,66)(H,59,67)(H,74,75)(H,76,77)/t27-,28-,35+,36+,37?,38-,39-,40?,51?/m0/s1

inchikey

  • IZAHRQDCJNCMKL-RQLJINDISA-N

mass

  • 1137.300

monoisotopicmass

  • 1136.44194

smiles

  • S(C(SC)C(N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C1=NC=2C(=CC=CC2)N=C1)CO)C)C)C(=O)N([C@H](C(=O)O)C(C)C)C)CC(N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C3=NC=4C(=CC=CC4)N=C3)CO)C)C)C(=O)N([C@H](C(=O)O)C(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[3-[3-[[(1S)-1-carboxy-2-methylpropyl]-methylamino]-2-[[(2S)-2-[[(2R)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoyl]-methylamino]-1-methylsulanyl-3-oxopropyl]sulanyl-2-[[(2S)-2-[[(2R)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoyl]-methylamino]propanoyl]-methylamino]-3-methylbutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204578

Download this concept:

RDF/XML TURTLE JSON-LD