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CHEBI:204363 - Kistamicin B

ChEBI IDCHEBI:204363
ChEBI NameKistamicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC70H60ClN9O16
Net Charge0
Average Mass1318.750
Monoisotopic Mass1317.38465
SMILESO=C(NCCc1ccccc1)NC(Cc1ccc(O)cc1)C(=O)NC1Cc2cnc3cc(ccc23)-c2cc3cc(c2O)Oc2ccc(cc2)CC2NC(=O)C(NC(=O)C3NC(=O)C(c3cc(O)cc(O)c3)NC1=O)c1ccc(c(Cl)c1)Oc1cc(ccc1O)C(C(=O)O)NC2=O
InChIInChI=1S/C70H60ClN9O16/c71-49-27-38-12-19-55(49)96-56-30-39(11-18-54(56)84)61(69(92)93)80-64(87)51-22-36-8-15-46(16-9-36)95-57-31-41-26-48(62(57)85)37-10-17-47-42(33-73-50(47)28-37)29-53(74-63(86)52(23-35-6-13-43(81)14-7-35)76-70(94)72-21-20-34-4-2-1-3-5-34)65(88)77-59(40-24-44(82)32-45(83)25-40)67(90)79-60(41)68(91)78-58(38)66(89)75-51/h1-19,24-28,30-33,51-53,58-61,73,81-85H,20-23,29H2,(H,74,86)(H,75,89)(H,77,88)(H,78,91)(H,79,90)(H,80,87)(H,92,93)(H2,72,76,94)
InChIKeyACUGLGSAQKAJRT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Microtetraspora (ncbitaxon:1995) - PubMed (8294237)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Kistamicin B (CHEBI:204363) is a oligopeptide (CHEBI:25676)
IUPAC Name 
34-chloro-25-(3,5-dihydroxyphenyl)-38,51-dihydroxy-22-[[3-(4-hydroxyphenyl)-2-(2-phenylethylcarbamoylamino)propanoyl]amino]-23,26,29,44,46-pentaoxo-7,36-dioxa-18,24,27,30,43,45-hexazanonacyclo[29.13.2.23,6.232,35.18,12.113,17.137,41.010,28.016,20]tripentaconta-3(53),4,6(52),8,10,12(51),13(50),14,16,19,32,34,37,39,41(47),48-hexadecaene-42-carboxylic acid
Manual XrefsDatabases
17288142ChemSpider