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CHEBI:219776 - Quinaldopeptin

ChEBI IDCHEBI:219776
ChEBI NameQuinaldopeptin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H78N14O14
Net Charge0
Average Mass1243.390
Monoisotopic Mass1242.58219
SMILESC[C@H]1NC(=O)[C@@H]2CCCCN2C(=O)CN(C)C(=O)CNC(=O)[C@@H]2CCCCN2C(=O)[C@H](NC(=O)c2nc3ccccc3cc2O)[C@@H](C)NC(=O)[C@@H]2CCCCN2C(=O)CN(C)C(=O)CNC(=O)[C@@H]2CCCCN2C(=O)[C@@H]1NC(=O)c1nc2ccccc2cc1O
InChIInChI=1S/C62H78N14O14/c1-35-51(69-59(87)53-45(77)29-37-17-5-7-19-39(37)67-53)61(89)75-27-15-11-21-41(75)55(83)63-31-47(79)72(4)34-50(82)74-26-14-10-24-44(74)58(86)66-36(2)52(70-60(88)54-46(78)30-38-18-6-8-20-40(38)68-54)62(90)76-28-16-12-22-42(76)56(84)64-32-48(80)71(3)33-49(81)73-25-13-9-23-43(73)57(85)65-35/h5-8,17-20,29-30,35-36,41-44,51-52,77-78H,9-16,21-28,31-34H2,1-4H3,(H,63,83)(H,64,84)(H,65,85)(H,66,86)(H,69,87)(H,70,88)/t35-,36-,41+,42+,43+,44+,51-,52-/m1/s1
InChIKeyKIPSHYPQCJYONU-IEWDKCLUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2387774)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Quinaldopeptin (CHEBI:219776) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-hydroxy-N-[(3R,4R,7S,20S,27R,28R,31S,44S)-27-[(3-hydroxyquinoline-2-carbonyl)amino]-4,15,28,39-tetramethyl-2,6,13,16,19,26,30,37,40,43-decaoxo-1,5,12,15,18,25,29,36,39,42-decazapentacyclo[42.4.0.07,12.020,25.031,36]octatetracontan-3-yl]quinoline-2-carboxamide
Manual XrefsDatabases
24603510ChemSpider