Rhodopetrobactin B

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C40H58N6O13/c1-27(47)45(21-9-5-17-43-37(55)29-11-13-31(49)33(51)23-29)19-7-3-15-41-35(53)25-40(59,39(57)58)26-36(54)42-16-4-8-20-46(28(2)48)22-10-6-18-44-38(56)30-12-14-32(50)34(52)24-30/h11-14,23-24,49-52,59H,3-10,15-22,25-26H2,1-2H3,(H,41,53)(H,42,54)(H,43,55)(H,44,56)(H,57,58), and canonical SMILES descriptor[cheminf_000007]: O=C(CC(C(=O)O)(CC(=O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(c(c1)O)O)O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(c(c1)O)O, and by the IUPAC name[cheminf_000107]: .

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-48756

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:

The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:

BFO:0000015 | process

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

BFO:0000015 | process

CHMO:0000498 | high-resolution mass spectrometry (HRMS)

BFO:0000015 | process

The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:

Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations