skip to main content

Chemistry, part 1

Content language

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

Concept information

organooxygen compound > ester > carboxylic ester > carbamate ester > alvespimycin
organooxygen compound > carbonyl compound > carboxylic ester > carbamate ester > alvespimycin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > alvespimycin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > alvespimycin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > secondary amino compound > alvespimycin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > secondary amino compound > alvespimycin
organooxygen compound > polyketide > ansamycin > alvespimycin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > ansamycin > alvespimycin
organooxygen compound > carboxamide > lactam > ansamycin > alvespimycin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > ansamycin > alvespimycin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > ansamycin > alvespimycin
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > ansamycin > alvespimycin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > ansamycin > alvespimycin

Preferred term

alvespimycin  

Type

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

Broader concept

charge

  • 0

formula

  • C32H48N4O8

has_functional_parent

has_role

inchi

  • InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1

inchikey

  • KUFRQPKVAWMTJO-LMZWQJSESA-N

mass

  • 616.747

monoisotopicmass

  • 616.34721

smiles

  • C12=C(C(C=C(C1=O)NC(C(=CC=C[C@@H]([C@H](C(=C[C@@H]([C@H]([C@H](C[C@@H](C2)C)OC)O)C)C)OC(=O)N)OC)C)=O)=O)NCCN(C)C

subset

  • 3_STAR

synonym EXACT

  • (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate

synonym RELATED

  • 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin
  • 17-DMAG

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65324

Download this concept:

RDF/XML TURTLE JSON-LD