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CHEBI:221302 - Nunamycin

ChEBI IDCHEBI:221302
ChEBI NameNunamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H82ClN11O19
Net Charge0
Average Mass1140.684
Monoisotopic Mass1139.54770
SMILESCCCCCCCCCCCC(O)CC(=O)NC1COC(=O)C(C(O)CCl)NC(=O)C([C@H](O)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCO)NC(=O)CNC(=O)C(CCN)NC1=O
InChIInChI=1S/C47H82ClN11O19/c1-4-5-6-7-8-9-10-11-12-13-26(63)20-32(65)53-30-23-78-47(77)36(31(64)21-48)58-45(74)37(38(67)46(75)76)59-44(73)35(25(3)62)57-43(72)34(24(2)61)56-41(70)28(15-18-50)55-40(69)29(16-19-60)52-33(66)22-51-39(68)27(14-17-49)54-42(30)71/h24-31,34-38,60-64,67H,4-23,49-50H2,1-3H3,(H,51,68)(H,52,66)(H,53,65)(H,54,71)(H,55,69)(H,56,70)(H,57,72)(H,58,74)(H,59,73)(H,75,76)/t24?,25?,26?,27?,28?,29?,30?,31?,34?,35?,36?,37?,38-/m0/s1
InChIKeyMJBKTLRPOJRSSH-FZUVSHMJSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (25784695)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nunamycin (CHEBI:221302) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-[15,24-bis(2-aminoethyl)-3-(2-chloro-1-hydroxyethyl)-9,12-bis(1-hydroxyethyl)-18-(2-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid