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Chemistry, part 1

Content language

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Concept information

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

Preferred term

puwainaphycin g  

Type

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

Broader concept

charge

  • 0

formula

  • C54H89N13O15

inchi

  • InChI=1S/C54H89N13O15/c1-10-13-14-15-16-17-18-19-21-29(6)42-44(72)52(80)63-41(28(4)5)51(79)60-33(12-3)46(74)61-34(23-24-38(55)69)48(76)59-32(11-2)47(75)62-35(26-39(56)70)49(77)58-30(7)45(73)65-43(31(8)68)54(82)66(9)37(27-40(57)71)53(81)67-25-20-22-36(67)50(78)64-42/h11-12,28-31,34-37,41-44,68,72H,10,13-27H2,1-9H3,(H2,55,69)(H2,56,70)(H2,57,71)(H,58,77)(H,59,76)(H,60,79)(H,61,74)(H,62,75)(H,63,80)(H,64,78)(H,65,73)/b32-11+,33-12+/t29?,30-,31-,34-,35-,36-,37-,41-,42?,43+,44?/m0/s1

inchikey

  • AHLZFNFPKBUJRB-BJLHTMEBSA-N

mass

  • 1160.382

monoisotopicmass

  • 1159.66011

smiles

  • O=C/1N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N2[C@H](C(=O)NC(C(C(N[C@H](C(N/C(/C(N[C@H](C(N/C1=C/C)=O)CCC(=O)N)=O)=C/C)=O)C(C)C)=O)O)C(CCCCCCCCCC)C)CCC2)CC(=O)N)C)[C@@H](O)C)C)CC(=O)N

subset

  • 2_STAR

synonym EXACT

  • 3-[(3S,6R,9S,12S,15E,18S,21E,24S,31S)-3,12-bis(2-amino-2-oxoethyl)-28-dodecan-2-yl-15,21-di(ethylidene)-27-hydroxy-6-[(1S)-1-hydroxyethyl]-4,9-dimethyl-2,5,8,11,14,17,20,23,26,30-decaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-18-yl]propanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213230

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