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CHEBI:208933 - Maltacine C1b

ChEBI IDCHEBI:208933
ChEBI NameMaltacine C1b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC71H102N14O21
Net Charge0
Average Mass1487.674
Monoisotopic Mass1486.73440
SMILESCCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C)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(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/C71H102N14O21/c1-7-37(4)58-71(105)106-35-46(90)34-54(81-66(100)51(31-40-13-19-43(87)20-14-40)80-63(97)49(25-27-55(73)91)77-61(95)47-12-10-30-74-47)68(102)83-57(36(2)3)69(103)78-50(26-28-56(92)93)64(98)85-59(39(6)86)70(104)82-52(32-41-15-21-44(88)22-16-41)65(99)76-48(11-8-9-29-72)62(96)75-38(5)60(94)79-53(67(101)84-58)33-42-17-23-45(89)24-18-42/h13-24,36-39,46-54,57-59,74,86-90H,7-12,25-35,72H2,1-6H3,(H2,73,91)(H,75,96)(H,76,99)(H,77,95)(H,78,103)(H,79,94)(H,80,97)(H,81,100)(H,82,104)(H,83,102)(H,84,101)(H,85,98)(H,92,93)/t37?,38?,39?,46?,47-,48?,49?,50?,51?,52?,53?,54?,57?,58?,59?/m0/s1
InChIKeyBJDUCJXOROULFC-JMPPWOQRSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (16177955)
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 C1b (CHEBI:208933) 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)-6,15-bis[(4-hydroxyphenyl)methyl]-9-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-24-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25-octazacyclotriacont-21-yl]propanoic acid
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78445764ChemSpider