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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 > cepacidine a1
organooxygen compound > carboxamide > peptide > cepacidine a1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > cepacidine a1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > cepacidine a1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > cepacidine a1

Preferred term

cepacidine a1  

Type

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

Broader concept

charge

  • 0

formula

  • C52H85N11O22

inchi

  • InChI=1S/C52H85N11O22/c1-2-3-4-5-6-7-8-9-26(53)16-29(67)19-30(85-52-44(76)42(74)35(68)24-84-52)17-27-18-36(69)59-34(23-65)49(81)63-39(41(73)25-10-12-28(66)13-11-25)51(83)60-32(20-38(71)72)48(80)61-33(22-64)47(79)57-21-37(70)56-15-14-31(54)46(78)62-40(50(82)58-27)43(75)45(55)77/h10-13,26-27,29-35,39-44,52,64-68,73-76H,2-9,14-24,53-54H2,1H3,(H2,55,77)(H,56,70)(H,57,79)(H,58,82)(H,59,69)(H,60,83)(H,61,80)(H,62,78)(H,63,81)(H,71,72)/t26?,27?,29?,30?,31?,32?,33?,34?,35-,39?,40?,41?,42+,43?,44-,52?/m1/s1

inchikey

  • AHNDNUVPXFPPIH-CWXOAVQGSA-N

mass

  • 1216.307

monoisotopicmass

  • 1215.58706

smiles

  • O=C1NC(C(=O)NC(C(=O)NCC(=O)NCCC(N)C(NC(C(NC(CC(NC(C(NC1C(O)C2=CC=C(O)C=C2)=O)CO)=O)CC(OC3OC[C@@H](O)[C@@H]([C@H]3O)O)CC(O)CC(N)CCCCCCCCC)=O)C(O)C(=O)N)=O)CO)CC(=O)O

subset

  • 2_STAR

synonym EXACT

  • 2-[25-amino-22-(2-amino-1-hydroxy-2-oxoethyl)-19-[6-amino-4-hydroxy-2-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentadecyl]-12-[hydroxy-(4-hydroxyphenyl)methyl]-6,15-bis(hydroxymethyl)-2,5,8,11,14,17,21,24-octaoxo-1,4,7,10,13,16,20,23-octazacycloheptacos-9-yl]acetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215118

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