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CHEBI:219414 - Ambobactin

ChEBI IDCHEBI:219414
ChEBI NameAmbobactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H77N13O19
Net Charge0
Average Mass1272.337
Monoisotopic Mass1271.54587
SMILESCC1NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(CO)NC(=O)C(N)CC(=O)O)C(C)OC(=O)C2C(O)CCN2C(=O)/C(=C\c2cnc3ccccc23)NC(=O)C(C(C)c2cnc3ccccc23)NC(=O)C(C(O)C(C)C)NC(=O)C2C(O)CCN2C(=O)CNC1=O
InChIInChI=1S/C59H77N13O19/c1-25(2)49(80)46-56(87)67-43(26(3)33-22-62-36-14-10-8-12-32(33)36)53(84)65-37(19-30-21-61-35-13-9-7-11-31(30)35)58(89)72-18-16-40(76)48(72)59(90)91-29(6)45(69-52(83)38(24-73)66-51(82)34(60)20-42(78)79)55(86)68-44(28(5)74)54(85)64-27(4)50(81)63-23-41(77)71-17-15-39(75)47(71)57(88)70-46/h7-14,19,21-22,25-29,34,38-40,43-49,61-62,73-76,80H,15-18,20,23-24,60H2,1-6H3,(H,63,81)(H,64,85)(H,65,84)(H,66,82)(H,67,87)(H,68,86)(H,69,83)(H,70,88)(H,78,79)/b37-19+
InChIKeyJPKJEQMJEKKOJN-SAEPALGJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (26370952)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ambobactin (CHEBI:219414) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-amino-4-[[1-[[(3E)-13,32-dihydroxy-24-(1-hydroxyethyl)-9-(1-hydroxy-2-methylpropyl)-6-[1-(1H-indol-3-yl)ethyl]-3-(1H-indol-3-ylmethylidene)-21,28-dimethyl-2,5,8,11,17,20,23,26,30-nonaoxo-29-oxa-1,4,7,10,16,19,22,25-octazatricyclo[29.3.0.012,16]tetratriacontan-27-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
78444436ChemSpider