CHEBI:219125 - Urumamide

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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 Urumamide
ChEBI ID CHEBI:219125
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C51H90N8O10
Net Charge 0
Average Mass 975.327
Monoisotopic Mass 974.67799
InChI InChI=1S/C51H90N8O10/c1-20-32(13)41-51(68)69-42(31(11)12)50(67)55(16)34(15)46(63)56(17)38(26-28(5)6)48(65)57(18)40(30(9)10)49(66)59-24-22-23-37(59)44(61)54-39(29(7)8)45(62)52-35(21-2)33(14)43(60)53-36(25-27(3)4)47(64)58(41)19/h27-42H,20-26H2,1-19H3,(H,52,62)(H,53,60)(H,54,61)/t32-,33-,34-,35+,36-,37-,38-,39-,40-,41-,42+/m0/s1
InChIKey QSZUTKACGNSKBA-IBIXCCNUSA-N
SMILES O=C1O[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N2[C@@H](CCC2)C(N[C@H](C(N[C@@H]([C@@H](C(N[C@H](C(N([C@H]1[C@H](CC)C)C)=O)CC(C)C)=O)C)CC)=O)C(C)C)=O)C(C)C)C)CC(C)C)C)C)C)C(C)C
Metabolite of Species Details
Okeania (NCBI:txid1458928) See: DOI
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 Urumamide (CHEBI:219125) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9S,12R,15S,18S,21S,22R,25S,28S)-15-[(2S)-butan-2-yl]-22-ethyl-4,7,9,10,16,21-hexamethyl-6,18-bis(2-methylpropyl)-3,12,25-tri(propan-2-yl)-13-oxa-1,4,7,10,16,19,23,26-octazabicyclo[26.3.0]hentriacontane-2,5,8,11,14,17,20,24,27-nonone
Manual Xref Database
58197148 ChemSpider
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