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CHEBI:208624 - Maltacine D1b

ChEBI IDCHEBI:208624
ChEBI NameMaltacine D1b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC68H96N14O22
Net Charge0
Average Mass1461.592
Monoisotopic Mass1460.68236
SMILESCCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)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)[C@@H]2CCCN2)CC(O)COC1=O
InChIInChI=1S/C68H96N14O22/c1-5-34(2)55-68(103)104-33-43(88)31-51(78-64(99)48(28-37-10-16-40(85)17-11-37)76-60(95)46(22-24-53(70)89)75-58(93)44-9-7-27-71-44)62(97)72-35(3)57(92)73-47(23-25-54(90)91)61(96)82-56(36(4)84)67(102)79-49(29-38-12-18-41(86)19-13-38)63(98)74-45(8-6-26-69)59(94)80-52(32-83)66(101)77-50(65(100)81-55)30-39-14-20-42(87)21-15-39/h10-21,34-36,43-52,55-56,71,83-88H,5-9,22-33,69H2,1-4H3,(H2,70,89)(H,72,97)(H,73,92)(H,74,98)(H,75,93)(H,76,95)(H,77,101)(H,78,99)(H,79,102)(H,80,94)(H,81,100)(H,82,96)(H,90,91)/t34?,35?,36?,43?,44-,45?,46?,47?,48?,49?,50?,51?,52?,55?,56?/m0/s1
InChIKeyNQPTXVCDMJQOHV-XBCHHXFVSA-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 D1b (CHEBI:208624) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[27-[[2-[[5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-12-(3-aminopropyl)-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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