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Concept information

Preferred term

بورخولیدین 1215  

Type

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

Broader concept

charge

  • 0

formula

  • C52H85N11O22

inchi

  • InChI=1S/C52H85N11O22/c1-2-3-4-5-6-7-8-9-10-11-34(85-52-44(76)42(74)33(68)24-84-52)41(73)32(67)18-26-19-36(70)59-30(22-64)48(80)62-38(40(72)25-12-14-27(66)15-13-25)51(83)60-28(16-17-53)46(78)56-21-37(71)58-29(20-35(54)69)47(79)61-31(23-65)49(81)63-39(50(82)57-26)43(75)45(55)77/h12-15,26,28-34,38-44,52,64-68,72-76H,2-11,16-24,53H2,1H3,(H2,54,69)(H2,55,77)(H,56,78)(H,57,82)(H,58,71)(H,59,70)(H,60,83)(H,61,79)(H,62,80)(H,63,81)/t26-,28-,29+,30-,31+,32-,33-,34+,38-,39+,40-,41-,42+,43+,44-,52+/m1/s1

inchikey

  • ARGJHMFHVZLKHE-YXCBPLLZSA-N

mass

  • 1216.307

monoisotopicmass

  • 1215.58706

smiles

  • O=C1N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](CC(N[C@@H](C(N[C@@H]1[C@H](O)C2=CC=C(O)C=C2)=O)CO)=O)C[C@@H](O)[C@@H](O)[C@@H](O[C@@H]3OC[C@@H](O)[C@@H]([C@H]3O)O)CCCCCCCCCCC)=O)[C@H](O)C(=O)N)CO)CC(=O)N)CCN

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[(3S,6S,9S,15R,18R,21R,25R)-15-(2-aminoethyl)-9-(2-amino-2-oxoethyl)-25-[(2R,3R,4S)-2,3-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentadecyl]-18-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-6,21-bis(hydroxymethyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-3-yl]-2-hydroxyacetamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211753

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