EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:225706 - Maltacine C1a

ChEBI IDCHEBI:225706
ChEBI NameMaltacine C1a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC70H100N14O21
Net Charge0
Average Mass1473.647
Monoisotopic Mass1472.71875
SMILESCCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C)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(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/C70H100N14O21/c1-7-36(4)57-70(104)105-34-45(89)33-53(80-65(99)50(30-39-12-18-42(86)19-13-39)79-62(96)48(24-26-54(72)90)76-60(94)46-11-9-29-73-46)67(101)82-56(35(2)3)68(102)77-49(25-27-55(91)92)63(97)84-58(38(6)85)69(103)81-51(31-40-14-20-43(87)21-15-40)64(98)75-47(10-8-28-71)61(95)74-37(5)59(93)78-52(66(100)83-57)32-41-16-22-44(88)23-17-41/h12-23,35-38,45-53,56-58,73,85-89H,7-11,24-34,71H2,1-6H3,(H2,72,90)(H,74,95)(H,75,98)(H,76,94)(H,77,102)(H,78,93)(H,79,96)(H,80,99)(H,81,103)(H,82,101)(H,83,100)(H,84,97)(H,91,92)/t36?,37?,38?,45?,46-,47?,48?,49?,50?,51?,52?,53?,56?,57?,58?/m0/s1
InChIKeyKWUUIADMVWGVAO-OULBAFNQSA-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 C1a (CHEBI:225706) 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)-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
Manual XrefsDatabases
78445761ChemSpider