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

Preferred term

maribasin a  

Type

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

Broader concept

charge

  • 0

formula

  • C49H76N12O14

inchi

  • InChI=1S/C49H76N12O14/c1-27(2)11-8-6-4-3-5-7-9-12-29-22-42(68)55-33(23-39(51)65)44(70)57-32(21-28-14-16-30(63)17-15-28)43(69)58-35(25-41(53)67)46(72)60-36(26-62)47(73)59-34(24-40(52)66)45(71)56-31(18-19-38(50)64)49(75)61-20-10-13-37(61)48(74)54-29/h14-17,27,29,31-37,62-63H,3-13,18-26H2,1-2H3,(H2,50,64)(H2,51,65)(H2,52,66)(H2,53,67)(H,54,74)(H,55,68)(H,56,71)(H,57,70)(H,58,69)(H,59,73)(H,60,72)/t29-,31+,32-,33-,34+,35-,36+,37-/m1/s1

inchikey

  • GOTAHJWMHYHCMJ-QELNVSPYSA-N

mass

  • 1057.217

monoisotopicmass

  • 1056.56040

smiles

  • O=C1N2[C@@H](C(=O)N[C@@H](CC(=O)N[C@@H](C(=O)N[C@H](CC3=CC=C(O)C=C3)C(N[C@@H](C(N[C@H](C(N[C@H](C(N[C@H]1CCC(=O)N)=O)CC(=O)N)=O)CO)=O)CC(=O)N)=O)CC(=O)N)CCCCCCCCCC(C)C)CCC2

subset

  • 2_STAR

synonym EXACT

  • 3-[(3S,6S,9S,12R,15R,18R,22R,25R)-6,12,18-tris(2-amino-2-oxoethyl)-9-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-22-(10-methylundecyl)-2,5,8,11,14,17,20,24-octaoxo-1,4,7,10,13,16,19,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225907

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