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CHEBI:214342 - Eujavanicin A

ChEBI IDCHEBI:214342
ChEBI NameEujavanicin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H93N9O15
Net Charge0
Average Mass1120.397
Monoisotopic Mass1119.67911
SMILESCC[C@H](C)[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N2CCCC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N1C
InChIInChI=1S/C55H93N9O15/c1-19-32(11)44-48(71)56-35(26-39(65)66)50(73)60(15)42(30(7)8)46(69)57-36(25-28(3)4)55(78)79-34(13)49(72)64-24-22-21-23-37(64)51(74)61(16)43(31(9)10)47(70)58-41(29(5)6)53(76)59(14)38(27-40(67)68)52(75)63(18)45(33(12)20-2)54(77)62(44)17/h28-38,41-45H,19-27H2,1-18H3,(H,56,71)(H,57,69)(H,58,70)(H,65,66)(H,67,68)/t32-,33-,34+,35-,36-,37-,38-,41-,42-,43-,44-,45-/m0/s1
InChIKeyANDYWVPENXNSGK-NHHJTUBUSA-N
Species of MetaboliteComponentSourceComments
Penicillium javanicum (ncbitaxon:28578) - PubMed (18771240)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Eujavanicin A (CHEBI:214342) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(3R,6S,9S,12S,15S,18S,21S,24S,27S,30S)-15,18-bis[(2S)-butan-2-yl]-21-(carboxymethyl)-3,10,16,19,22,28-hexamethyl-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-9,24,27-tri(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-12-yl]acetic acid
Manual XrefsDatabases
78438064ChemSpider