Concept information
Preferred term
کیتینوورین B
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C30H48N10O12S
inchi
- InChI=1S/C30H48N10O12S/c1-14(34-3)23(45)37-15(2)24(46)38-18(7-5-9-35-29(32)33)19(42)10-21(44)52-11-16-12-53-28-30(36-13-41,27(51)40(28)22(16)26(49)50)39-20(43)8-4-6-17(31)25(47)48/h13-15,17-19,28,34,42H,4-12,31H2,1-3H3,(H,36,41)(H,37,45)(H,38,46)(H,39,43)(H,47,48)(H,49,50)(H4,32,33,35)/t14-,15-,17+,18-,19+,28+,30+/m0/s1
inchikey
- ITVAXTXLGSKAIA-HZQFPLSGSA-N
mass
- 772.830
monoisotopicmass
- 772.31739
smiles
- S1[C@H]2N(C(C(=O)O)=C(C1)COC(=O)C[C@@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC)C)C)CCCN=C(N)N)C(=O)[C@]2(NC(=O)CCC[C@@H](N)C(=O)O)NC=O
subset
- 2_STAR
synonym EXACT
- (6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-[[(3R,4S)-7-(diaminomethylideneamino)-3-hydroxy-4-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]heptanoyl]oxymethyl]-7-ormamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:224960
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