CHEBI:209530 - Maltacine B2b

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Maltacine B2b
ChEBI ID CHEBI:209530
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C73H106N14O21
Net Charge 0
Average Mass 1515.728
Monoisotopic Mass 1514.76570
InChI InChI=1S/C73H106N14O21/c1-5-40(2)60-73(107)108-36-11-8-15-50(80-69(103)55(37-43-17-23-46(90)24-18-43)83-67(101)53(29-31-58(75)93)82-63(97)49-16-12-34-76-49)64(98)77-41(3)62(96)78-54(30-32-59(94)95)68(102)87-61(42(4)89)72(106)85-56(38-44-19-25-47(91)26-20-44)70(104)81-51(13-6-9-33-74)65(99)79-52(14-7-10-35-88)66(100)84-57(71(105)86-60)39-45-21-27-48(92)28-22-45/h17-28,40-42,49-57,60-61,76,88-92H,5-16,29-39,74H2,1-4H3,(H2,75,93)(H,77,98)(H,78,96)(H,79,99)(H,80,103)(H,81,104)(H,82,97)(H,83,101)(H,84,100)(H,85,106)(H,86,105)(H,87,102)(H,94,95)
InChIKey UDWSRPPIGMXFFI-UHFFFAOYSA-N
SMILES O=C1OCCCCC(NC(=O)C(NC(=O)C(NC(=O)C2NCCC2)CCC(=O)N)CC3=CC=C(O)C=C3)C(=O)NC(C(=O)NC(C(=O)NC(C(O)C)C(NC(C(NC(C(NC(C(NC(C(NC1C(CC)C)=O)CC4=CC=C(O)C=C4)=O)CCCCO)=O)CCCCN)=O)CC5=CC=C(O)C=C5)=O)CCC(=O)O)C
Metabolite of Species Details
Bacillus (NCBI:txid1386) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Maltacine B2b (CHEBI:209530) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
3-[12-(4-aminobutyl)-27-[[2-[[5-amino-5-oxo-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-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 Xref Database
78444985 ChemSpider
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