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Concept information

Preferred term

Dentigerumycin C  

Type

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

Broader concept

charge

  • 0

formula

  • C35H60N8O12

inchi

  • InChI=1S/C35H60N8O12/c1-6-21-14-15-35(53,55-25(21)7-2)34(5,52)33(51)39-27(28(45)20(3)4)31(48)42-22(11-8-17-37-42)29(46)40(54)19-26(44)41-23(12-9-16-36-41)30(47)43-24(32(49)50)13-10-18-38-43/h20-25,27-28,36-38,45,52-54H,6-19H2,1-5H3,(H,39,51)(H,49,50)/t21-,22+,23+,24-,25+,27-,28-,34+,35+/m0/s1

inchikey

  • DOSYPZGSPJJCQT-SAJQWLTGSA-N

mass

  • 784.909

monoisotopicmass

  • 784.43307

smiles

  • O=C(N[C@H](C(=O)N1NCCC[C@@H]1C(=O)N(O)CC(=O)N2NCCC[C@@H]2C(=O)N3NCCC[C@H]3C(=O)O)[C@@H](O)C(C)C)[C@@](O)([C@@]4(O[C@@H]([C@@H](CC)CC4)CC)O)C

subset

  • 2_STAR

synonym EXACT

  • (3S)-2-[(3R)-2-[2-[[(3R)-2-[(2S,3S)-2-[[(2S)-2-[(2R,5S,6R)-5,6-diethyl-2-hydroxyoxan-2-yl]-2-hydroxypropanoyl]amino]-3-hydroxy-4-methylpentanoyl]diazinane-3-carbonyl]-hydroxyamino]acetyl]diazinane-3-carbonyl]diazinane-3-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216412

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