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CHEBI:224785 - Orienticin D

ChEBI IDCHEBI:224785
ChEBI NameOrienticin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC74H91ClN10O26
Net Charge0
Average Mass1572.039
Monoisotopic Mass1570.57945
SMILESCC(C)C[C@@H](C(=O)N[C@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@@H](C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@@H](O[C@H]3C[C@](C)(N)[C@H](O)[C@@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@@H](C)O2)Oc2ccc(cc2)[C@@H]1O)N(C)C
InChIInChI=1S/C74H91ClN10O26/c1-28(2)17-41(85(7)8)66(97)83-55-57(91)31-9-13-36(14-10-31)106-45-20-34-21-46(61(45)111-72-62(59(93)58(92)47(27-86)108-72)110-50-26-74(6,78)64(95)30(4)105-50)107-44-16-12-33(19-39(44)75)60(109-49-25-73(5,77)63(94)29(3)104-49)56-70(101)82-54(71(102)103)38-22-35(87)23-43(89)51(38)37-18-32(11-15-42(37)88)52(67(98)84-56)81-68(99)53(34)80-65(96)40(24-48(76)90)79-69(55)100/h9-16,18-23,28-30,40-41,47,49-50,52-60,62-64,72,86-89,91-95H,17,24-27,77-78H2,1-8H3,(H2,76,90)(H,79,100)(H,80,96)(H,81,99)(H,82,101)(H,83,97)(H,84,98)(H,102,103)/t29-,30-,40-,41+,47+,49+,50+,52-,53-,54?,55-,56-,57+,58-,59+,60+,62+,63-,64-,72-,73+,74+/m1/s1
InChIKeyBTCGMSGGRYTEHK-FRDKUPSWSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (3403380)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Orienticin D (CHEBI:224785) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(1R,2S,18S,19R,22R,25R,28R)-2-[(2R,4S,5S,6R)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-48-[(2R,3S,4S,5S,6S)-3-[(2R,4S,5S,6R)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5-chloro-19-[[(2S)-2-(dimethylamino)-4-methylpentanoyl]amino]-18,32,35,37-tetrahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37,49-pentadecaene-40-carboxylic acid
Manual XrefsDatabases
78443249ChemSpider