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

Preferred term

gausemycin a  

Type

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

Broader concept

charge

  • 0

formula

  • C84H116ClN17O28

inchi

  • InChI=1S/C84H116ClN17O28/c1-41(2)14-10-11-19-63(108)88-28-26-64(109)93-51(17-12-27-86)75(120)96-55(33-59(104)46-15-8-7-9-16-46)79(124)101-70(61(106)36-68(114)115)82(127)99-53(31-45-20-23-48(24-21-45)130-84-72(117)71(116)62(107)40-129-84)78(123)100-69-43(5)91-80(125)58-18-13-29-102(58)83(128)44(6)92-76(121)54(34-60(105)49-25-22-47(85)32-50(49)87)94-65(110)37-90-74(119)57(39-103)95-66(111)38-89-73(118)56(35-67(112)113)97-77(122)52(30-42(3)4)98-81(69)126/h7-11,14-16,19-25,32,41-44,51-59,61-62,69-72,84,103-104,106-107,116-117H,12-13,17-18,26-31,33-40,86-87H2,1-6H3,(H,88,108)(H,89,118)(H,90,119)(H,91,125)(H,92,121)(H,93,109)(H,94,110)(H,95,111)(H,96,120)(H,97,122)(H,98,126)(H,99,127)(H,100,123)(H,101,124)(H,112,113)(H,114,115)/b14-10+,19-11-/t43?,44-,51+,52+,53-,54-,55?,56-,57-,58-,59?,61?,62-,69?,70?,71-,72+,84-/m0/s1

inchikey

  • PMTCHUARAZYWIB-ORKFZHLJSA-N

mass

  • 1847.390

monoisotopicmass

  • 1845.78642

smiles

  • ClC1=CC(N)=C(C(=O)C[C@@H]2NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(C(C(NC([C@H]3N(C([C@@H](NC2=O)C)=O)CCC3)=O)C)NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@H](NC(=O)CCNC(=O)/C=C/C=C/C(C)C)CCCN)CC(O)C4=CC=CC=C4)C(O)CC(=O)O)CC5=CC=C(O[C@@H]6OC[C@H](O)[C@@H]([C@H]6O)O)C=C5)=O)CC(C)C)CC(=O)O)CO)C=C1

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221258

Download this concept:

RDF/XML TURTLE JSON-LD