CHEBI:202118 - D-Ornithinegalantin I

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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 D-Ornithinegalantin I
ChEBI ID CHEBI:202118
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H84N14O13
Net Charge 0
Average Mass 981.208
Monoisotopic Mass 980.63423
InChI InChI=1S/C41H84N14O13/c1-24(51-41(68)36(63)33(60)19-31(58)26(46)9-3-4-11-42)37(64)54-28(20-45)40(67)53-27(10-7-12-43)39(66)55-30(23-56)32(59)17-25(57)18-34(61)52-29(21-47-2)38(65)50-22-35(62)49-16-6-5-14-48-15-8-13-44/h24-33,36,47-48,56-60,63H,3-23,42-46H2,1-2H3,(H,49,62)(H,50,65)(H,51,68)(H,52,61)(H,53,67)(H,54,64)(H,55,66)
InChIKey BYECHTCUXAQVHW-UHFFFAOYSA-N
SMILES O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(O)CC(O)CC(=O)NC(C(=O)NCC(=O)NCCCCNCCCN)CNC)CO)CCCN)CN)C)C(O)C(O)CC(O)C(N)CCCCN
Metabolite of Species Details
Bacillusspecies (in: firmicutes) (NCBI:txid1409) 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 D-Ornithinegalantin I (CHEBI:202118) is a oligopeptide (CHEBI:25676)
IUPAC Name
6,10-diamino-N-[1-[[3-amino-1-[[5-amino-1-[[7-[[1-[[2-[4-(3-aminopropylamino)butylamino]-2-oxoethyl]amino]-3-(methylamino)-1-oxopropan-2-yl]amino]-1,3,5-trihydroxy-7-oxoheptan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2,3,5-trihydroxydecanamide
Manual Xref Database
78444001 ChemSpider
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