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CHEBI:199473 - Maltacine B1a

ChEBI IDCHEBI:199473
ChEBI NameMaltacine B1a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC72H104N14O21
Net Charge0
Average Mass1501.701
Monoisotopic Mass1500.75005
SMILESCCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCCCO)NC(=O)C(CCCN)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(N)=O)NC(=O)C2CCCN2)CCCCOC1=O
InChIInChI=1S/C72H104N14O21/c1-5-39(2)59-72(106)107-35-9-7-13-49(79-68(102)54(36-42-16-22-45(89)23-17-42)82-66(100)52(28-30-57(74)92)81-62(96)48-15-11-33-75-48)63(97)76-40(3)61(95)77-53(29-31-58(93)94)67(101)86-60(41(4)88)71(105)84-55(37-43-18-24-46(90)25-19-43)69(103)80-51(14-10-32-73)64(98)78-50(12-6-8-34-87)65(99)83-56(70(104)85-59)38-44-20-26-47(91)27-21-44/h16-27,39-41,48-56,59-60,75,87-91H,5-15,28-38,73H2,1-4H3,(H2,74,92)(H,76,97)(H,77,95)(H,78,98)(H,79,102)(H,80,103)(H,81,96)(H,82,100)(H,83,99)(H,84,105)(H,85,104)(H,86,101)(H,93,94)
InChIKeyVRVZMVNJCUIYQB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (15724270)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Maltacine B1a (CHEBI:199473) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[27-[[2-[[5-amino-5-oxo-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-12-(3-aminopropyl)-3-butan-2-yl-9-(4-hydroxybutyl)-18-(1-hydroxyethyl)-6,15-bis[(4-hydroxyphenyl)methyl]-24-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclohentriacont-21-yl]propanoic acid
Manual XrefsDatabases
78444972ChemSpider