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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 > comxro-c-2 pheromone
organooxygen compound > carboxamide > peptide > comxro-c-2 pheromone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > comxro-c-2 pheromone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > comxro-c-2 pheromone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > comxro-c-2 pheromone

Preferred term

comxro-c-2 pheromone  

Type

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

Broader concept

charge

  • 0

formula

  • C47H70N10O12

inchi

  • InChI=1S/C47H70N10O12/c1-26(2)11-8-12-27(3)13-9-14-28(4)20-21-47-24-35(42(67)55-34(23-37(61)62)40(65)52-25-38(63)64)57(45(47)56-31-16-7-6-15-30(31)47)44(69)33(18-19-36(59)60)54-41(66)32(17-10-22-51-46(49)50)53-43(68)39(48)29(5)58/h6-7,11,13,15-16,20,29,32-35,39,45,56,58H,8-10,12,14,17-19,21-25,48H2,1-5H3,(H,52,65)(H,53,68)(H,54,66)(H,55,67)(H,59,60)(H,61,62)(H,63,64)(H4,49,50,51)/b27-13+,28-20+/t29-,32+,33+,34+,35+,39+,45-,47-/m1/s1

inchikey

  • ZLQRDKLMKRAJCL-MXZPFILYSA-N

mass

  • 967.135

monoisotopicmass

  • 966.51747

smiles

  • O=C(N[C@H](C(=O)NCC(=O)O)CC(=O)O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CCCN=C(N)N)CCC(=O)O)[C@H]2NC=3C=CC=CC3[C@]2(C1)C/C=C(/CC/C=C(/CCC=C(C)C)/C)/C

subset

  • 2_STAR

synonym EXACT

  • (4S)-5-[(2S,3aR,8bR)-2-[[(2S)-3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]carbamoyl]-8b-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-3-yl]-4-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212506

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