CHEBI:199473 - Maltacine B1a

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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 B1a
ChEBI ID CHEBI:199473
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C72H104N14O21
Net Charge 0
Average Mass 1501.701
Monoisotopic Mass 1500.75005
InChI InChI=1S/C72H104N14O21/c1-5-39(2)59-72(106)107-35-9-7-13-49(79-68(102)54(36-42-16-22-45(89)23-17-42)82-66(100)52(28-30-57(74)92)81-62(96)48-15-11-33-75-48)63(97)76-40(3)61(95)77-53(29-31-58(93)94)67(101)86-60(41(4)88)71(105)84-55(37-43-18-24-46(90)25-19-43)69(103)80-51(14-10-32-73)64(98)78-50(12-6-8-34-87)65(99)83-56(70(104)85-59)38-44-20-26-47(91)27-21-44/h16-27,39-41,48-56,59-60,75,87-91H,5-15,28-38,73H2,1-4H3,(H2,74,92)(H,76,97)(H,77,95)(H,78,98)(H,79,102)(H,80,103)(H,81,96)(H,82,100)(H,83,99)(H,84,105)(H,85,104)(H,86,101)(H,93,94)
InChIKey VRVZMVNJCUIYQB-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)CCCN)=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 B1a (CHEBI:199473) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
3-[27-[[2-[[5-amino-5-oxo-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-12-(3-aminopropyl)-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
78444972 ChemSpider
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