CHEBI:225818 - Rufomycin NBZ7

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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 Rufomycin NBZ7
ChEBI ID CHEBI:225818
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C55H79N9O12
Net Charge 0
Average Mass 1058.288
Monoisotopic Mass 1057.58482
InChI InChI=1S/C55H79N9O12/c1-13-15-19-37-47(67)59-39(28-35-29-62(55(9,10)46(66)14-2)40-20-17-16-18-36(35)40)53(73)60(11)42(23-30(3)4)49(69)58-38(26-34-21-22-45(65)41(27-34)64(75)76)48(68)56-33(8)52(72)61(12)44-25-32(7)51(71)63(54(44)74)43(24-31(5)6)50(70)57-37/h13,15-18,20-22,27,29-33,37-39,42-44,46,51,65-66,71H,14,19,23-26,28H2,1-12H3,(H,56,68)(H,57,70)(H,58,69)(H,59,67)/b15-13+/t32-,33+,37+,38+,39+,42+,43+,44+,46-,51-/m1/s1
InChIKey XBBQMRNPGSJBOA-DIOBEVESSA-N
SMILES O=[N+]([O-])C1=C(O)C=CC(=C1)C[C@@H]2NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](N3C([C@@H](N(C([C@@H](NC2=O)C)=O)C)C[C@@H](C)[C@H]3O)=O)CC(C)C)=O)C/C=C/C)CC=4C5=C(C=CC=C5)N(C4)C([C@H](O)CC)(C)C)C)CC(C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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 Rufomycin NBZ7 (CHEBI:225818) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S,5S,8S,11S,14S,17S,20S,22R,23R)-5-[(E)-but-2-enyl]-23-hydroxy-8-[[1-[(3R)-3-hydroxy-2-methylpentan-2-yl]indol-3-yl]methyl]-14-[(4-hydroxy-3-nitrophenyl)methyl]-10,17,19,22-tetramethyl-2,11-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[18.3.1]tetracosane-3,6,9,12,15,18,24-heptone