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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > locillomycin b
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > locillomycin b
organooxygen compound > ester > lactone > cyclodepsipeptide > locillomycin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > locillomycin b
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > locillomycin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > depsipeptide > cyclodepsipeptide > locillomycin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > depsipeptide > cyclodepsipeptide > locillomycin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > depsipeptide > cyclodepsipeptide > locillomycin b

Preferred term

locillomycin b  

Type

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

Broader concept

charge

  • 0

formula

  • C53H81N11O18

inchi

  • InChI=1S/C53H81N11O18/c1-5-6-7-8-9-10-11-12-13-14-15-16-40(68)63-46-30(4)82-53(81)45(29(2)3)64-51(79)34(23-31-17-19-32(65)20-18-31)58-41(69)27-56-48(76)37(26-44(73)74)62-50(78)35(24-39(55)67)59-42(70)28-57-47(75)36(25-43(71)72)61-49(77)33(60-52(46)80)21-22-38(54)66/h17-20,29-30,33-37,45-46,65H,5-16,21-28H2,1-4H3,(H2,54,66)(H2,55,67)(H,56,76)(H,57,75)(H,58,69)(H,59,70)(H,60,80)(H,61,77)(H,62,78)(H,63,68)(H,64,79)(H,71,72)(H,73,74)/t30?,33-,34+,35+,36+,37+,45+,46+/m1/s1

inchikey

  • WFOPIRXUIQRPQI-JWGLGNDASA-N

mass

  • 1160.290

monoisotopicmass

  • 1159.57610

smiles

  • O=C1OC([C@H](NC(=O)CCCCCCCCCCCCC)C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H]1C(C)C)=O)CC2=CC=C(O)C=C2)=O)=O)CC(=O)O)=O)CC(=O)N)CC(=O)O)CCC(=O)N)C

subset

  • 2_STAR

synonym EXACT

  • 2-[(3S,6S,12S,15S,21S,24R,27S)-15-(2-amino-2-oxoethyl)-24-(3-amino-3-oxopropyl)-12-(carboxymethyl)-6-[(4-hydroxyphenyl)methyl]-28-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-3-propan-2-yl-27-(tetradecanoylamino)-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-21-yl]acetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222158

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