CHEBI:207573 - Streptocidin D

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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 Streptocidin D
ChEBI ID CHEBI:207573
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C65H90N14O12
Net Charge 0
Average Mass 1259.521
Monoisotopic Mass 1258.68626
InChI InChI=1S/C65H90N14O12/c1-36(2)29-46-59(85)77-51(32-40-19-11-8-12-20-40)65(91)79-28-16-24-52(79)63(89)76-47(30-37(3)4)58(84)73-48(31-39-17-9-7-10-18-39)60(86)75-50(34-54(68)81)61(87)70-45(25-26-53(67)80)57(83)74-49(33-41-35-69-43-22-14-13-21-42(41)43)62(88)78-55(38(5)6)64(90)71-44(23-15-27-66)56(82)72-46/h7-14,17-22,35-38,44-52,55,69H,15-16,23-34,66H2,1-6H3,(H2,67,80)(H2,68,81)(H,70,87)(H,71,90)(H,72,82)(H,73,84)(H,74,83)(H,75,86)(H,76,89)(H,77,85)(H,78,88)/t44-,45-,46-,47-,48+,49-,50-,51+,52-,55-/m0/s1
InChIKey XXRDLHONNPJJFW-GQOWOHCOSA-N
SMILES O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]1CC3=CC=CC=C3)=O)CC(C)C)=O)CCCN)=O)C(C)C)=O)CC=4C5=C(C=CC=C5)NC4)CCC(=O)N)CC(=O)N)CC6=CC=CC=C6)CC(C)C)CCC2
Metabolite of Species Details
Brevibacillusspecies Leaf182 (NCBI:txid1736290) See: PubMed
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 Streptocidin D (CHEBI:207573) is a oligopeptide (CHEBI:25676)
IUPAC Names
3-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-21-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-3,24-dibenzyl-15-(1H-indol-3-ylmethyl)-6,27-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide
3-[(3S,6S,9S,12R,15R,18R,21R,24R,27S,30S)-21-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-3,24-dibenzyl-15-(1H-indol-3-ylmethyl)-6,27-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide
Manual Xref Database
8924248 ChemSpider
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