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CHEBI:223942 - Maltacine D1c

ChEBI IDCHEBI:223942
ChEBI NameMaltacine D1c
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC69H98N14O22
Net Charge0
Average Mass1475.619
Monoisotopic Mass1474.69801
SMILESCCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(CCCCN)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)[C@@H]2CCCN2)CC(O)COC1=O
InChIInChI=1S/C69H98N14O22/c1-5-35(2)56-69(104)105-34-44(89)32-52(79-65(100)49(29-38-11-17-41(86)18-12-38)77-61(96)47(23-25-54(71)90)76-59(94)45-10-8-28-72-45)63(98)73-36(3)58(93)74-48(24-26-55(91)92)62(97)83-57(37(4)85)68(103)80-50(30-39-13-19-42(87)20-14-39)64(99)75-46(9-6-7-27-70)60(95)81-53(33-84)67(102)78-51(66(101)82-56)31-40-15-21-43(88)22-16-40/h11-22,35-37,44-53,56-57,72,84-89H,5-10,23-34,70H2,1-4H3,(H2,71,90)(H,73,98)(H,74,93)(H,75,99)(H,76,94)(H,77,96)(H,78,102)(H,79,100)(H,80,103)(H,81,95)(H,82,101)(H,83,97)(H,91,92)/t35?,36?,37?,44?,45-,46?,47?,48?,49?,50?,51?,52?,53?,56?,57?/m0/s1
InChIKeyILXMRCOUNDMYCI-NKIAMLMBSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (16178056)
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 D1c (CHEBI:223942) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[12-(4-aminobutyl)-27-[[2-[[5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-butan-2-yl-29-hydroxy-18-(1-hydroxyethyl)-9-(hydroxymethyl)-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-octazacyclotriacont-21-yl]propanoic acid
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