CHEBI:214585 - Roseoferin C2

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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 C2
ChEBI ID CHEBI:214585
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C60H110N10O12
Net Charge 0
Average Mass 1163.598
Monoisotopic Mass 1162.83047
InChI InChI=1S/C60H110N10O12/c1-18-21-22-23-24-25-27-40(10)56(80)70-29-26-28-46(70)52(76)63-45(33-38(8)32-44(73)34-43(72)20-3)51(75)62-42(12)50(74)64-47(36(4)5)53(77)65-48(37(6)7)54(78)66-49(39(9)19-2)55(79)67-60(15,16)58(82)68-59(13,14)57(81)61-41(11)35-69(17)30-31-71/h36-42,44-49,71,73H,18-35H2,1-17H3,(H,61,81)(H,62,75)(H,63,76)(H,64,74)(H,65,77)(H,66,78)(H,67,79)(H,68,82)
InChIKey DEGMKTXWWRMWKD-UHFFFAOYSA-N
SMILES O=C(NC(C(=O)NC(CN(CCO)C)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)C(C)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 C2 (CHEBI:214585) is a oligopeptide (CHEBI:25676)
IUPAC Name
N-[6-hydroxy-1-[[1-[[1-[[1-[[1-[[1-[[1-[1-[2-hydroxyethyl(methyl)amino]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-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-(2-methyldecanoyl)pyrrolidine-2-carboxamide
Manual Xref Database
78444819 ChemSpider
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