CHEBI:202816 - Roseoferin A3

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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 Roseoferin A3
ChEBI ID CHEBI:202816
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C59H108N10O12
Net Charge 0
Average Mass 1149.571
Monoisotopic Mass 1148.81482
InChI InChI=1S/C59H108N10O12/c1-17-21-22-23-24-25-27-39(8)53(78)69-30-26-28-45(69)50(75)63-44(33-36(5)32-43(72)34-42(71)20-4)49(74)62-41(10)48(73)66-57(11,12)55(80)65-46(37(6)18-2)51(76)64-47(38(7)19-3)52(77)67-59(15,16)56(81)68-58(13,14)54(79)61-40(9)35-60-29-31-70/h36-41,43-47,60,70,72H,17-35H2,1-16H3,(H,61,79)(H,62,74)(H,63,75)(H,64,76)(H,65,80)(H,66,73)(H,67,77)(H,68,81)
InChIKey NZZGMDXAMVHVKY-UHFFFAOYSA-N
SMILES O=C(NC(C(=O)NC(CNCCO)C)(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(CCCCCCCC)C)CCC1)CC(CC(O)CC(=O)CC)C)C)(C)C)C(CC)C)C(CC)C)(C)C
Metabolite of Species Details
Mycogone rosea (NCBI:txid129585) 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 Roseoferin A3 (CHEBI:202816) is a oligopeptide (CHEBI:25676)
IUPAC Name
N-[6-hydroxy-1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(2-hydroxyethylamino)propan-2-ylamino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-(2-methyldecanoyl)pyrrolidine-2-carboxamide
Manual Xref Database
78444787 ChemSpider
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